Selection of heterogeneous catalysts with metallic surface states.

Abstract

The present invention relates to a method for controllably preparing catalysts with at least one metallic surface state, comprising: a) identifying all topological insulators in ICSD; b) calculating the real-space invariants of the valence bands of all these topological insulators; thereby c) identifying the Wyckoff positions where irreducible Wannier charge centers (WCCs) are localized in all these topological insulators; and then d) selecting as potential catalytically active compounds topological insulators in which the WCC positions are not occupied by any atoms. and e) synthesizing a crystal of the selected potential catalytically active compound so as to grow the crystal in a predetermined crystallographic orientation (characterized by its Miller indices (h, k, l)) that exposes a metallic surface state; or cutting the crystal in a predetermined crystallographic orientation (characterized by its Miller indices (h, k, l)) that exposes a metallic surface state, the predetermined crystallographic orientation being the orientation of a normal vector (h, k, l) of a surface plane f(x, y, z) = 0 that intersects the position of the interfering WCC but is away from the position of the atom, and this condition is satisfied by (1). [Equation 1] TIFF2023537811000067.tif22117 and the interfering WCC [Equation 2] TIFF2023537811000068.tif11112 and atoms are localized in WP OCC ={x i ,y i ,z i |i∈occupiedposition} is satisfied if it occupies

Description

[Background technology]

[0001] Heterogeneous catalytic reactions such as photocatalysis / electrochemical water splitting (HER / OER), ammonia synthesis, CO2 reduction, and oxygen reduction reaction (ORR) in fuel cells have attracted increasing attention due to their advantages in facing the energy crisis and environmental problems. With the help of these techniques, hydrogen can be produced from water and then directly used in fuel cells without pollutant emissions. CO2 and N2 can be converted into specific carbon products or ammonia, which are important in industry and fertilizer. Unfortunately, all these reactions require corresponding catalysts to lower the activation energy for scalable production. The design and investigation of high-performance catalysts strongly depends on the understanding of the details of the catalytic reaction and the physical properties of the catalyst. Currently, the d-band theory (Non-Patent Document 1; Non-Patent Document 2) has successfully explained the catalytic efficiency of selected catalysts. Within the framework of the d-band theory, the reaction rate is determined by the adsorption energy between the reaction intermediates and the catalytic active sites. However, the fundamental and unsolved problem is why the adsorption energy is different on different crystal surfaces of the same catalyst and how to identify the active sites of the selected catalyst.

[0002] Transition metal dichalcogenides such as MoS2 are potential alternatives to noble metal-based catalysts thanks to their high catalytic efficiency and stability. It is experimentally very well proven that the (001) basal plane of MoS2 crystal is inactive for the catalytic process of photocatalytic / electrochemical water splitting reactions. It is the edges of the crystal that act as active sites (see Figure 1). The basal plane can be activated for catalysis only if defects such as element vacancies are introduced into it. The same phenomenon is observed in other materials such as PtSe2, PtTe2, and PdTe2. However, it remains unclear why the catalytic efficiency differs significantly at different crystal surfaces of the same catalyst and what factors determine the adsorption energy. This is of great importance for the design of novel high-performance catalysts.

[0003] US Patent No. 5,999,366 discloses a method for the scalable synthesis of monolayer and few layer films of molybdenum disulfide. When deposited on SiO2 / Si substrates and used as electrocatalysts for hydrogen evolution, they show high efficiency with high exchange current density and low Tafel slope. The reference states that monolayer and few layer films have more active sites than nanoparticles and bulk phases.

[0004] US Patent No. 5,999,366 discloses the formation of molybdenum disulfide nanosheets on a carbon fiber substrate. These nanosheets have multiple catalytically active edge sites along their basal planes and exhibit good activity for hydrogen evolution.

[0005] US Patent No. 5,399,633 relates to the use of RuTe2 as an active component in direct methanol fuel cells. Fuel cells using RuTe2 as a catalyst can be used in portable electronic products.

[0006] Non-Patent Document 3 reported that nanostructured transition metal dichalcogenides such as MoS2, WS2, MoSe2, and WSe2 are excellent electrocatalysts for CO2 reduction. The authors found that the metal edge sites of the nanoflakes are the active centers due to their strong binding to CO molecules.

[0007] Non-Patent Document 4; Non-Patent Document 5; Non-Patent Document 6 report that the photocatalytic and electrochemical efficiencies of transition metal dichalcogenides (MoS2) are correlated with the number of edge sites in the crystal, while the (001) basal plane of the MoS2 crystal is inactive toward hydrogen evolution.

[0008] Non-Patent Document 7; Non-Patent Document 8; Non-Patent Document 9 found that the catalytic activity of MoS2 can be enhanced in hydrogen evolution reaction, CO2 reduction, and NH3 synthesis by introducing sulfur vacancies in the (001) basal plane of MoS2 crystals.

[0009] found that the pristine surfaces of layered transition metal dichalcogenides (PtSe2, PtTe2) are chemically inert to most common ambient gases, including O2, H2O, and even in air. However, by doping or introducing selenium or tellurium vacancies, a high density of active sites can be created on the (001) basal plane for water splitting and the water-gas shift reaction.

[0010] Despite all these efforts, it is still not understood what the active site(s) are in various catalytic processes. For example, it is not understood why the adsorption energy can be significantly changed by introducing defects such as vacancies. The answers to these questions are crucial for the design of high-performance catalysts with controllable active sites for a given heterogeneous reaction. [Prior art documents] [Patent documents]

[0011] [Patent Document 1] US Patent Application Publication No. 2014 / 0353166(A1) [Patent Document 2] International Publication No. 2018165449(A1) [Patent Document 3] JP 2009-252412 A [Non-patent literature]

[0012] [Non-Patent Document 1] J. Norskov, et al., PNAS, 2011, vol. 108, p. 937 [Non-Patent Document 2] L. Pettersson et al., Top. Catal. 2014, vol. 57, p. 2 [Non-Patent Document 3] M. Asadi, K. Kim, C. Liu, A. V. Addepalli, P. Abbasi, P. Yasaei, P. Phillips, A. Behranginia, J. M. Cerrato, R. Haasch, P. Zapol, B. Kumar, R. F. Klie, J. Abiade, L. A. Curtiss, A. Salehi-Khojin (Science, 2016, Vol. 353, p. 467) [Non-Patent Document 4] C. Tsai, K. Chan, F. Abild-Pedersen, J. K. Norskov (Phys. Chem. Chem. Phys., 2014, Vol. 16, p. 13156) [Non-Patent Document 5] T. F. Jaramillo, K. P. Jorgensen, J. Bonde, J. H. Nielsen, S. Horch, Ib Chorkendorff (Science, 2007, Vol. 317, p. 100) [Non-Patent Document 6] R. Abinaya, J. Archana, S. Harish, M. Navaneethan, S. Ponnusamy, C. Muthamizhchelvan, M. Shimomura, and Y. Hayakawa (RSC Adv., 2018, Vol. 8, p. 26664) [Non-Patent Document 7] H. Li, M. Du, M. J. Mleczko, A. Koh, Y. Nishi, E. Pop, A. J. Bard, and X. Zheng (J. Am. Chem. Soc., 2016, Vol. 138, p. 5123) [Non-Patent Document 8] S. Kang, S. Han, Y. Kang (ChemSusChem, 2019, Vol. 12, p. 2671) [Non-Patent Document 9] L. Zeng, S. Chen, J. van der Zalm, X. Li, A. Chen (Chem. Commun., 2019, Vol. 55, p. 7386) [Non-Patent Document 10] A. Politano, G. Chiarello, C. Kuo, C. Lue, R. Edla, P. Torelli, V. Pellegrini, DW Boukhvalov (Adv.Funct.Mater.2018, vol. 28, p. 1706504) [Non-Patent Document 11] H. Huang, X. Fan, D. J. Singh, and W. Zheng (ACS Omega 2018, vol. 3, pp. 10058) Summary of the Invention [Problem to be solved by the invention]

[0013] Therefore, the object of the present invention is to - a method for controllably preparing a catalyst having active surface site(s); and / or - a method for improving the efficiency of a known catalyst which has not previously been made available by utilizing a majority of its active surface site(s); - a catalyst exhibiting active surface site(s) as determined by the method above; The purpose of this project is to provide [Means for solving the problem]

[0014] The above objective is realized by selecting topological insulators, specifically trivial insulators, from the Inorganic Crystal Structure Database, FIZ Karlsruhe, Germany (ICSD, https: / / icsd.fiz-karlsruhe.de), such that the WCC (Wannier Charge Center) positions are not occupied by atoms. These compounds are characterized by metallic surface states at pre-defined designated crystal surfaces, determined by the method according to the invention. Crystals of the selected insulator compounds are cut or grown in pre-defined crystallographic orientations (characterized by their Miller indices (h,k,l)) in order to expose the metallic surface states to potential reactants of the photocatalytic / electrochemical reaction.

[0015] WP OCC ={x i ,y i ,z i Atoms present in |i∈occupied position} and

number

number

[0016] This means that the surface plane f(x,y,z)=0 with normal vector (h,k,l) ​​is located at the position (X j ,Y j ,Z j ), but the atom position (x i ,y i ,z i) means it is far away from the

[0017] Trivial insulators, i.e. insulators that do not have a topological electronic structure, are characterized by an indirect band gap in the bulk (approximately 0.001-7.000 eV) with different crystal momentum (k-vector) for the conduction and valence bands. Using topological quantum chemical theory (Nature 547.7663 (2017): pp. 298-305), and the Real Space Invariants (RSI) disclosed in Science 367 (6479), pp. 794-797 (2020), it has been found that some topological insulators, specifically trivial insulators, have metallic surface states protected by crystal symmetry on certain crystallographic surfaces, and that these metallic surface states can explain catalytic performance.

[0018] Thus, the present invention can provide new and / or improved catalysts for photocatalytic / electrochemical reactions such as water splitting (oxygen evolution reaction, OER, or hydrogen evolution reaction, HER), ammonia synthesis, CO2 reduction, and oxygen reduction reaction (ORR), especially in fuel cells. DETAILED DESCRIPTION OF THE PREFERRED EMBODIMENTS

[0019] It has been found that the active sites of heterogeneous reactions are metallic surface states localized at / on certain crystallographic surfaces, characterized by their surface normals expressed as (h,k,l) ​​indices (Miller indices). Metallic surface states can be imagined as "dangling bonds" that extend from the surface of the catalyst and give rise to metallic conductivity. Inside the crystalline mass (bulk) of the catalyst compound, all bonds are saturated; the atomic orbitals (AOs) of the elements that make up the catalyst compound overlap with each other, thereby forming molecular orbitals (MOs) with the bonding electrons. However, at the boundaries of the crystal, certain atomic orbitals do not have corresponding bonding partners to form MOs; they remain "unsaturated" and extend beyond the crystal boundaries as "dangling bonds". Naturally, metallic surface states, or "dangling bonds", can also be created by the introduction of defects in the crystal structure, such as elemental vacancies. It has been found that metallic surface states as defined above enhance catalytic efficiency. Thus, with the information of the above findings, a) be able to explain the catalytic efficiency of known catalyst compounds; b) A given compound, whose catalytic potential has not yet been modified, can be transformed into an efficient catalyst by cutting or growing a crystal of this potential catalytic material with a predefined crystallographic orientation (characterized by its surface normals expressed in Miller indices (h,k,l)) whereby metallic surface states appear, the orientation being determined by the crystal surface with metallic surface states, which can be calculated (see below) or obtained from the list of materials below; c) Finally, the method b) makes it possible to improve the catalytic efficiency of known catalyst compounds. d) known compounds can be screened for catalytic materials; and / or e) A list of compounds that can be used as catalysts can be provided.

[0020] As used herein, the following terms have the following meanings.

[0021] "Surface properties" refers to the bonding and electronic structure at the surface of a crystal.

[0022] By "trivial insulator" we mean an insulator according to the conventional definition, i.e., an insulator that does not have one or more topological features, such as band inversion between the conduction band and the valence band. Thus, an insulator that exhibits one or more topological features is called a "topological insulator."

[0023] "Indirect band gap" means that the bottom of the conduction band and the top of the valence band have different crystal momentum (k vector) in the Brillouin zone.

[0024] "Metallic surface states" refers to electronic states resulting from dangling bonds that are located between the conduction band and the valence band. These surface states have delocalized electrons and are highly conductive. In real space, they are at the crystal surface. In momentum space (k), they are located in the gap between the bulk conduction band and the valence band.

[0025] By "particular surface" is meant a surface of a catalyst crystal having a surface normal with specified Miller indices ((h,k,l) ​​indices).

[0026] "Catalytically active site" means a crystal surface at which a heterogeneous catalytic reaction can occur.

[0027] "Occupied position" means an available Wyckoff position in a given space group that is occupied by an atom (one or more). An example for space group No. 25 (Pmm2) is shown below:

[0028] Wyckoff position of group Pmm2 (No. 25) [Table 1]

[0029] Thus, a Wyckoff position for a given space group consists of all points X whose site symmetry group is a conjugate subgroup of the given space group. Each Wyckoff position in a space group is labelled by a symbol called the Wyckoff symbol. The number of distinct Wyckoff positions for each space group is finite, with the maximum number being 9 for plane groups (holding in p2mm) and 27 for space groups (holding in Pmmm). In total there are 72 Wyckoff positions for plane groups and 1731 Wyckoff positions for space groups.

[0030] Heterogeneous catalytic reactions are a type of catalytic process in which the catalyst and reactants are not in the same phase. They take place, for example, in reactions between gases or liquids or both, on the surface of a solid catalyst. Typical heterogeneous catalytic reactions include, for example, photocatalytic / electrochemical water splitting in fuel cells, ammonia synthesis, CO2 reduction, and oxygen reduction reaction (ORR). According to classical surface adsorption theory, heterogeneous reactions include four steps: 1) Diffusion of reactants to a solid catalyst surface. The rate of diffusion is determined by the bulk concentration of the reactants and the thickness of the boundary layer (the layer of solution that forms at the catalyst surface) surrounding the catalyst particle. 2) Adsorption of reactants onto the surface of the catalyst by chemical or physical bonding. 3) Oxidation or reduction at the catalyst surface, characterized by an electronic transfer between the catalyst and the adsorbate. 4) Desorption of reaction products: This process involves the breaking of a bond(s) as the product(s) desorb from the surface of the catalyst.

[0031] Catalytic efficiency generally depends on the adsorption energy of the adsorbate / reaction intermediate and the catalytic active site(s). A good catalyst requires that the adsorption energy is "just right" so that products can be formed and released as fast as possible. The adsorption energy can be positive or negative, with a positive energy meaning weak adsorption, whereas a negative energy means good, i.e. strong, adsorption. However, a very high positive adsorption energy will result in a low concentration of reactants at the catalyst surface(s) and thus an increased reaction rate. On the other hand, if the adsorption energy is very negative, the products will remain on the catalyst surface for too long and may act as a "poison" for the active site(s).

[0032] The catalytic efficiency of topological insulators, specifically trivial insulators, is found to be directly correlated with their metallic surface states. Using topological quantum chemistry (TQC) theory (Nature 547.7663 (2017): pp. 298-305), we identify all trivial, as well as topologically non-trivial, band insulators in the Inorganic Crystal Structure Database (ICSD) (Nature 566.7745 (2017): pp. 480-485). Topologically trivial insulators fall into two distinct categories: with and without surface states.

[0033] We have identified the band representations (BR) of the valence bands of all these topological band insulators (see Nature 566.7745 (2017): 480-485; and the Topological Materials Database, https: / / www.topologicalquantumchemistry.com). The Wyckoff positions WP occ ={x i ,y i ,z iFor a given topological band insulator with atoms present in |i∈occ=occupied positions}, the RSI of all Wyckoff positions (WPs) of the crystal symmetry group can be calculated using the BR and the formula for the real space invariant (RSI) disclosed, for example, in Science 367(6479), pp. 794-797 (2020). Thus, for a given space group, the RSI can be defined for each of the Wyckoff positions of that space group. In a topological band insulator, the RSI defined at a Wyckoff position is always an integer, which represents the number of irreducible Wannier orbitals (=irreducible Wannier charge centers (WCCs)) at the Wyckoff positions.

[0034] A Wyckoff position with a nonzero RSI is called an irreducible Wannier center of charge (WCC) (Physical Review B 89.11 (2014)), WP wcc ={x k ,y k ,z k |RSI k ≠ 0}. Any BR in a topological band insulator with at least one irreducible WCC localized at an empty Wyckoff site (i.e., a Wyckoff site not occupied by an atom) is called an obstructed atomic limit phase, i.e.,

number

number

[0035] Occupied Wyckoff Position WP OCC ={x i ,y i ,z i|i∈occupied positions} and obstructing Wyckoff positions

number

number

[0036] This means that the surface plane f(x,y,z)=0 with normal vector (h,k,l) ​​intersects the location of the disturbing Wyckoff position but is far from its occupied position in the crystal.

[0037] Any cleaved crystal surface that crosses these hindered Wyckoff positions should have metallic surface states on the crystal surface. The location of these metallic surface states on the surface of the catalytic crystal can be predicted by the above theory. This is shown in Figures 1 and 2 for MoS2 crystals. The surface states are located at edge sites with dangling bonds. The (001) basal plane has no surface states and is inactive in catalytic reactions. However, edge sites that are perpendicular to the (001) plane, such as (100), or (010), or (110), are active for catalytic reactions such as hydrogen evolution. If these metallic surface states are located near the Fermi level (i.e., up to about 0.5 eV below or above the Fermi level), they can be easily transferred in catalytic reactions and can function as active centers for chemical reactions.

[0038] The locations of metallic surface states in MoS2 crystals are shown in Figure 3. MoS2 crystallizes in space group P63 / mmc (#194) with Mo and S at Wyckoff positions 2c (1 / 3, 2 / 3, 1 / 4) and 4f (1 / 3, 2 / 3, z) (where z is a common position other than 1 / 4), respectively. Using topological quantum chemical (TQC) theory, the real space invariant (RSI) at Wyckoff position 2b (0,0,1 / 4) is δ(b) = 1.0. Therefore, there exists an irreducible WCC localized at the 2b positions that are not occupied by any atoms. This indicates that the above theory allows one to identify a surface plane of MoS2 with metallic surface states (denoted by its Miller indices (1,0,0)) as shown in Figure 3(a). On the other hand, a surface with Miller indices (0,0,1) crosses the 2c positions that are occupied by atoms. Therefore, the (001) surface has no metallic surface states within the energy gap, as shown in Figure 3(b).

[0039] The predicted catalytic behavior of MoS2 crystals has been experimentally verified. Figure 4 shows the experimental setup for HER. A bulk MoS2 single crystal is attached to a titanium wire by silver paint. The edges and basal planes can be clearly seen in Figure 4. Figure 5a shows the linear polarization curves for the whole crystal (edges + basal planes), the edges only, and the basal planes. It can be seen that the activity of the whole crystal is almost the same as that of the edges. When the edges are partially covered by gel, the activity drops significantly. Figure 5b shows a photograph taken at an overpotential of -0.57 vs RHE. Hydrogen bubbles form at the edges but not at the basal planes. It can therefore be concluded that the HER activity originates from the crystal edges.

[0040] Thus, the present invention provides - Identifying all topological insulators in the ICSD, and preferably all trivial insulators; - To calculate the real-space invariants of the valence bands of all these topological insulators, and thereby - In all these topological insulators, we identify the Wyckoff sites where the irreducible Wannier charge centers (WCCs) are localized, and then - Selecting topological insulators in which the WCC sites are not occupied by any atoms as potential catalytically active compounds; The present invention provides a method for selecting a potentially catalytically active compound, comprising:

[0041] This method was applied to all compounds in the ICSD to identify potentially catalytically active compounds. These compounds are listed in the attached table, labeled "OAI". Many compounds in this table have multiple entries. Multiple entries of the same compound (meaning the same stoichiometry) arise when different contributors to the ICSD report (slightly) varying data such as varying lattice parameters, different space group assignments, or Wyckoff assignments. An abbreviated list of the individual compounds (= only one entry) is reproduced below in Table 1:

[0042] Table 1 Ba1P8, I4P2, Mn1P4, Nb2Se9, Os1P4, P3Ru1, P4Ru1, P5Re2, Re1S2, Re1Se2, S2Tc1, Lu1P5, P5Y1, As1Ge1, As1Si1, Ba1P3, Bi1S2, Bi1Se2, Br4Nb1, Br6Si2, C 22 F 14、C2Ca1、Ca5P8、Cl3Mo1、Cl3Y2、Cl4Nb1、Cl4Ta1、Cs5Te3、Ga1Te1、Ge1P1、Hg1O2、In1Se13、K1Sb2、Na2P2 r1、Rb1Sb2、Ag1P2、As2Co1、As2Ir1、As2La1、As2Rh1、Au1 O1、B2F4、B4Mn1、Ca1O2、Cd1P4、Co1P2、Cs1Te4、Cs2I8、Cu 1P2、Fe1P4、Fe1S1、Ga2I3、Hg2N6、Ir1N2、Ir1P2、Ir1Sb2、 La1P7、La1S2、La1Se2、Li2O2、Mg1P4、N2O4、N2S2、O2Tc1、 P2Rh1、P7Pb1、Rh1Sb2、Rh1Si1、Sb1Zn1、Ba1S2、Ba1Se2、C 2Ba1、C2Sr1、I6Pt2、Ni1P2、O2Si1、P2Pd1、S2Yb1、S4V1、S e3Tl2、Se9V2、Te3Tl2、As3Ca4、Cs2Te2、K2O2、Rb2Te2、As 2Fe1、As2Os1、As2Ru1、C1N1、Fe1P2、Fe1S2、Fe1Sb2、Fe1S e2、In1S1、N2Pt1、Os1P2、Os1Sb2、P2Ru1、Ru1Sb2、Ru1Te2 、Ge3Os2、Ge3Ru2、Os2Si3、Ru2Si3、As1Cd1、As1Zn1、B2Cl 4、C2N2、Cd1Sb1、Cl1O2、P4Re1、P4Tc1、Pd1S2、B2Fe1、Na1 P5、P3Re1、P3Tc1、Ba5P4、Ba5Sb4、K1Tl1、Ba1O2、F3La1、A s6Cs4、As6Rb4、Cs4P6、K4P6、P6Rb4、Al2Ru1、Ga2Os1、Ga2 Ru1、C2Li2、C2Na2、Cs2O2、Cs2S2、Rb2S2、B3Si1、H6Ru1、O 64 If 32 、K5Te3、B 10 F 12、Li1Si1、C1N2、Cs1In3、Ga3K1、Ga3Rb1、H8Si1、C2Mg1、Fe1Ga3、Ga3Os1、Ga3Ru1、In3Ru1、Li2S2、B4Os1、Cl2Zn1、Hg1I2、Hg2I4、Al2Os1、 As1Ca2、Bi1Ca2、Br1Hg1、Br2Hg2、Cl2Hg2、F2Hg2、Ga3K2、Hg1I1、Hg2I2、In3Rb2、O2Sr1、Ba1Te2、O2Zn1、S2Sr1、Au1Br1、Au1Cl1、O3U1、Br 12 Zr6、Cl 12 Zr6、I 12 Zr6、I6Si2、As1B6、As2B 12 、B 12 P2、B 12 Si3、B6O1、B6P1、Br8Nb3、C1B4、C3B 12 、Ga1S1、I8Nb3、Cr1N2、Ga1Se1、Mo1N2、N2W1、Ca1P1、Ca2P2、K2S2、K2Se2、Na2O2、Na2S2、P1Sr1、C2Os1、Hf1N2、K2Te2、Mo 1S2、Mo1Se2、Mo1Te2、Na1S1、Na2Se2、S2W1、Se2W1、Te2W1、As2Pt1、Cd1O2、Cd1S2、Cd1Se2、Fe1Te2、Mg1O2、Mg1Se2、Mg1Te 2、N2Pd1、Os1S2、Os1Se2、Os1Te2、P2Pt1、Ru1S2、Ru1Se2、S2Zn1、Se2Zn1、Ag1Br1、Ag1Cl1、Ag1I1、B4Fe1、Be5Pt1、Br1Cu1 、Cd1S1、Cd1Se1、Cd1Te1、Cl1Cu1、Cu1I1、Cu5Tb1、O1Zn1、S1Sn1、S1Zn1、Se1Zn1、Te1Zn1、B6Ca1、B6Si1、B6Sr1、B1Li1、 Al2Cd2Cl8、Al4Cl 14 Te4、As1Fe1S1、Au1Br8Te1、B 18 Cs8S 18 、B 18 Rb8S 18 、B 18 Rb8Se 18 、B8Br6P4、Bi2Br8Te4、Bi4Cl 16 Tea 14 、Bi6Cl20 Te4、Br 12 Ta2Te4、Br1Mo1Te4、Br2Nb1S2、Br2Nb1Se2、C 22 Co6O 18 、C2I 10 La6、C2O4Pb1、Cl 12 Ta2Te4、Cl 18 P2Re2、Cl2Nb1Se2、Cl5O4Re2、Cl6Hf1Te4、Cl8Ga2Hg2、Cs1Sb2Se4、Cs2S6Sn2、Cs2S8Sb4、Cs2Se6Sn2、Cs4P2Se 10 、Cu4P3Se4、F 12 I4Sb2、F 12 Sb2Te4、Ge1Li1Te2、Ge2Te6Tl6、Hg1O3V1、Hg2P2S6、I 12 Nb2Te8、I1Ta1Te4、In2O5P1、K2O8S2、K2Sb4Se8、La6O 18 Re4、Li1Mo1S2、Mo4N 14 Sr 10 、Na2O8S2、Rb2Sb4Se8、Si2Te6Tl6、As2Ga2Sr1、C2Ca1O4、Al2Na7Sb5、Ba3P6Si4、Bi9I3Rh2、Cl7Nb3Se5、Ir2Se5Sn1、K4P8Te4、Al1O4W1、As1Cl2Hg2、As2F 12 I4、As3Ba2Cd2、As3Sr2Zn2、Ba5Cr1N5、Bi4Br2Ru1、Br 10 Te4Zr2、C1B2O2、C1N1Th1、C2Br2Gd2、C2La2O2、C4Cs2O4、C4Li2O4、C4O4Rb2、Cd1P1S3、Cd2P2S6、Cd6Sb 12 Sr 11 、Cl2Hg2P1、Cl2Nb1S2、Fe1P1S3、Fe2P2S6、Ge1K3S3、Ge2K6S6、Ge2K6Se6、Hg6O7Si2、I2O1Ta1 、K6Si2Te6、Mg1P1S3、Na4P2S6、Ni1P1S3、Ni1P1Se3、Ni2P2S6、P1S3Zn1、P2S6V2、P2S6Zn2、P6S 18 Zn4、Hg2Mo2O7、Hg2O4S1、Hg2O4Se1、Hg4O7P2、K2Mo8O 16、Ag5Ge1O4、As1Cd2Cl2、As1Fe1Se1、As1Fe1Te1、As1Ru1Te1、As2Cs4Te6、As2F 12 Hg4、As2Hg6O 10 、As2Hg6O8、Ba1P3Pt2、Ba2P2S6、Ba2P2Se6、Ba6P6Sn2、Bi1Os1Se1、Br 14 Ga4Te4、Br3Hg2Te1、C1D1K1O3、C2Ag2O4、C2Cd1O4、C2H6O6、C2Li2O4、C2Na2O4、C2O4Tl2、C2O4Zn1、C4Na2O4、Ca1Mo5O8、Ca2P2S6、Ca2P2Se6、Cd2Cl2P1、Cl 14 Ga4Te4、Cl3Cu1K1、Cl3Mo1S2、Cl7O3Re2、Co1K2O2、Cs1O5V2、Cs2O8S2、Cs2Se6Te2、Cu1La2S4、Fe1P1S1、Fe1P1Se1、Fe1S1Sb1、Fe1Sb1Se1、Fe1Sb1Te1、Ge2Na6Se6、Ge2Na6Te6、H4B2O4、Hg1O4Re1、Hg2N2O4、Hg4N2O8、Hg6O8P2、I1Nb2Te6、In4P6S 18 、K4O8P2、K6Se6Sn2、K6Sn2Te6、Mo5O8Sr1、Na6Si2Te6、Os1P1S1、Os1P1Se1、Os1S1Sb1、Os1Sb1Se1、Os1Sb1Te1、P1Pb1Se3、P1Ru1S1、P1Ru1Se1、P1Se3Sn1、P2Pb2S6、P2Pb2Se6、P2S6Sn2、P2S6Sr2、P2Se6Sn2、P2Se6Sr2、P2Se6Tl4、Ru1S1Sb1、Ru1Sb1Se1、Ru1Sb1Te1、 Ag2O2Pb1、As1F6I5、As3Br1Cd2、As3Br1Hg2、As3Cd2I1、As6Ba1Pt4、As6Pt4Sr1、Au1Cl1O2、Au1Cl4Cs1、Au1Cl4Rb1、Au1Cl4Tl1、Au1F4Li1、Au1Li1S1、B2Li2Se5、Bi3Cl1O4、Br1Cd2P3、Br2Hg2O6、C2O4Sn1、C4Ag2O4、Cd2Cl1P3、Cd2I1P3、Cd2O 12P4、Cl1Hg2O1、Cl1Hg2P3、Cl2Hg4O2、Cl4Os1Sc4、Cs1F7Sb2、Cs2Re3Se6、Cs4Re6S 13 、Cs4Re6Se 13 、Cs4S 13 Tc6、Cs4Se 13 Tc6、Cs6Ge2Se6、Cs6Ge2Te6、Cs6Sn2Te6、Cu2O2Pb1、Cu2Re3Se6、Fe2O 12 P4、Ge2K6Te6、Hg2P2Se6、K2Re3S6、K2Re3Se6、K4Re6Se 12 、K4S 12 Tc6、K4Se 12 Tc6、Mn2Mo1P 12 、Na2Nb4O 11 、Na2Re3S6、Na2Re3Se6、O3Si1Sr1、O4Pd1S1、O4Pt1S1、O7P2Pd2、P6Pt4Sr1、Rb2Re3S6、Rb2Re3Se6、Rb4Re6S 12 、Rb4Re6S 13 、Rb4Re6Se 12 、Rb4S 13 Tc6、Rb4Se 12 Tc6、Re3S6Tl2、Re3Se6Tl2、Re6Se 12 Tl4、Br 11 Cs1Nb4、Br 11 Nb4Rb1、Cl 11 Cs1Nb4、Cl 11 Nb4Rb1、Al2Ca5Sb6、Al2Cl8Se4、As6Ca5Ga2、Ba1Nb8O 14 、Ba3O1Sb2、Ba5In2Sb6、C2K2O4、C2O4Rb2、Ca5In2Sb6、In2Sb6Sr5、Nb8O 14Sr1、Ag5O4Si1、Br1Hg2P3、Nb2Ni1O6、O9P2V2、Al2Cl8Te4、Au1O4S1、Cl2N4S6、Co1Ge1Te1、Cu1O3Se1、Cu1P2Se1、Ge1Rh1Te1、O6P2Tl4、Pt1Sb1Si1、Al1K1Sb4、Al1P3Si1、As1La1Te1、As2Hg4O7、Ba1P4Te2、Cs2Ge1Te4、Cs2Sn1Te4、Ga1K1Sb4、H2B1Li1、La1Mn1S3、La1P1S1、P1S1Y1、P2Ru2Th1、I1K4P 21 、I1P 21 Rb4、B 12 Li2Si2、B2Ba1Se6、In9K1Na3、La2O2S2、Na4P2Se6、Nb1P2S8、F6Pa1Rb1、Au1Na1S1、Cs2Ni3S4、Cs2Ni3Se4、Cs2Pd3Se4、Cs2Pt3S4、Cs2Pt3Se4、Li2O4U1、Na2O4U1、Ni3Rb2S4、Pt3Rb2S4、Au1Cs1F4、Au5Cs7O2、Au5O2Rb7、Br3Cs1Li2、Cl2I2Ta1、Cl3Cs1Li2、Hf2N2S1、Li2Ni1O2、Na2O3Ti1、Na2O4Pd3、O3Pd1Sr2、Al1B 14 Li1、Ba1Ce1O3、C2B 13 Li1、Cu 11 K3Te 16 、O4P1Rh1、O4Si1Zn2、P2S6Th1、P2S6Zr1、Ba9Br 34 O1Pr6、Bi4I2Ru1、La4O 10 Re2、Br2Cs1F1、C2Ag1K1、C2Au1Cs1、C2Au1K1、C2Au1Na1、C2Au1Rb1、C2Cu1Rb1、C2Ag1Cs1、C2Cu1K1、Cl3O1W1、I3O1W1、Li6O4Zn1、Cl6Hf1Se4、Cl6Se4Zr1、Br2Cs2F2、Cs2I6Pd1、C4Ba1O4、Ag3Cu1S2、Ba1Cu2O2、Ba1O7U2、C4O4Pb1、Cd1In2O4、Cl2O1Pd2、Cu2O2Sr1、Al1Si1Te3、B 12 Br 12 Cs2、B 12 Cl 12 Cs2、B12 Cs2I 12 、Cd2P2Se6、Cs8O1Tl8、Fe1P1Se3、Fe2P2Se6、Mg2P2Se6、Nb6O 12 Ti2、As2Hg2O6、Ca1O6Os2、O6Ru2Sr1、C2Cs2Pd1、C2Cs2Pt1、C2K2Pd1、C2K2Pt1、C2Na2Pd1、C2Na2Pt1、C2Pd1Rb2、C2Pt1Rb2、H2B2Ca1、Mg3Nb6O 11 、O2Pr2S1、O2Pr2Se1、B9Mg1N1、Cs4O1Tl2、F1Gd1O1、H8F4N2、Br 9Os2Rb3、C9Fe2O9、Mo1S1Se1、Ag2I 10 Tl6、Ba5O 10 Ru2、Ca1Ga2P2、Ca1In2P2、Cl9Cs3Ru2、Cl9Cs3Ti2、Cs3F9Fe2、Cs3I9Zr2、In2P2Sr1、K1Nb1S2、K1Nb1Se2、Li1Nb1O2、Li1Nb1S2、Na1Nb1O2、Na1Nb1S2、Na1Nb1Se2、H 12 B 12 Cs2、H 12 B 12 K2、H 12 B 12 Rb2、H 12 B 12 Tl2、H 20 B 12 N2、As1Rb3Se 16 、 K3P1Se 16 、H6Cl2N2、F6O2Pt1、Ag1Cu4Tb1、Au1Sc1Sn1、Bi1Co1Zr1、Bi1Lu1Ni1、Bi1Ni1Sc1、Bi1Ni1Y1、Co1Sb1Ti1、Cu1Rb1Te1、Fe1Nb1Sb1、Fe1Sb1V1、Ge1Pt1Ti1、Hf1Ni1Sn1、Hf1Pd1Sn1、Lu1Ni1Sb1、Nb1Ru1Sb1、Ni1Sb1Sc1、Ni1Sb1Y1、Ni1Sn1Ti1、Ni1Sn1Zr1、O4S1Zn1、Pd1Sb1Sc1、Pt1Sb1Sc1、Pt1Sb1Y1、Pt1Sn1Ti1、Rh1Sb1Th1、Ru1Sb1Ta1、Ru1Sb1V1、Ag6Ge 10 P12 、Nb3Sb2Te5、In3O8P2、Fe2Ge1Ti1、H6B6Cs2、H6B6K2、Ag2Mo1O4、Ag6K2S4、Al1Cs1O2、Al1K1O2、Al1O2Rb1、Al2Cd1O4、Al2Cd1S4、Al2Cd1Se4、Al2Hg1S4、Al2Hg1Se4、Al2O4Zn1、Al2S4Zn1、Al2Se4Zn1、As4He2O6、Ba2Ge4S 10 、Cd1Ga2O4、Cd1In2S4、Cd1In2Se4、Cd1Lu2S4、Cd1Lu2Se4、Cd1O4Rh2、Cd1S4Sc2、Cd1S4Y2、Cd1Sc2Se4、Cd1Se4Y2、Cd2O4Si1、Cd2O4Sn1、Cl4Li2Zn1、Cs1N2Nb1、Ga2O4Zn1、Hg1In2S4、In2O4Zn1、In2S4Zn1、K8Sb4Sn1、Lu2Mg1S4、Lu2Mg1Se4、Mg1O4Rh2、Mg1Se4Y2、O4Rh2Zn1、O4Sn1Zn2、S4Sc2Zn1、S4Y2Zn1、Se4Y2Zn1、Ag1Bi1P2S6、As1Cl3F6S3、As2Cd1Ge1K1、As2Cd1Ge1Rb1、B 18 Cs4Hg2Se 18 、B 18 Hg2Rb4Se 18 、B3Cu1Li3O7、Br 10 O1Ta2Te4、C 10 H 18 Cu2N2O 10 、C 10 H 18 N2O 10 Rh2、C1F3Hg1O3S1、C1H5Eu1O7P1、C1H5Nd1O7P1、C1H5O7P1Pr1、C2H 10 Ga2Ge4N2O 12 、C2H 26 B 12 N8、C2H6Ca1O7、C2H6K2O 13 S1U1、C2H6O 12 U2、C2H8Br3Cu1N1O1、C2H8In2O 14 Se2、C3H7F1N1O5Sn1、C4H 11 N1O 10 、C4H 12 Ba2N2O10 S2、C4H 12 Fe1O6S4、C4H 12 N6O 14 Se2U2、C4H 14 F3N1O2V1、C4H 16 Cl6Cu2N2、C4H7Cs1O 10 、C4H7K1O 10 、C5H 10 N1O6、C6F6Na4O 12 Sn4、C6H 12 Fe1N8O8、C6H4Na4Np2O 18 、C8H 20 N6O 18 S2U2、C8H 28 F6N2O4V2、C8H4K6N8O6Os2S2、C8I2Mo2O8、Cl 10 Mo2N4S4、Cl 10 Nb2O1Te4、Cl2N4O 12 S 10 、Cs2P2Se6Zn1、Cu1O9Se3Sr2、Cu2Na2O 11 Si4、F2N2O4Xe1、F2O7Te2V2、H 10 F8In2N2O2、H 12 I8Mg1O6、H 12 Mg1O 12 S2、H 12 O 12 S2Zn1、H 14 Hg2O 14 Te2、H 14 N4O8S2、H 16 B 12 Na2O 14 S6、H 18 O 12 Se4Sn1Sr2、H 24 Li2N8Te2、H 26 B 20 K4O4、H 32 N 14 Se6Sn2、H 34 Cl4Cr2N8O6、H4Cu2Na2O 13 Si4、H6B2F8N2、H6Cs2O 12 P4、H6F 22 N2Sb4、H6O 12 P4Rb2、H8Na6O 14P4、K4Mn1Mo3O 12 、K4N2O 14 S4、Lu1Na1P2S6、Na1P2S6Tb1、Na1P2S6Y1、P2Rb2Se6Zn1、C4H3Cs1O 14 U2、C4H5K1O 15 U2、C4H5O 15 Rb1U2、Cs2Cu2O 19 Si8、Cu2Ge4O 13 Sc2、K3P5Ru1Se 10 、Ag2Br6Hg7P8、Ag2Hg7I6P8、Au2K2P2Se6、Au2La4O2P4、Au2P2Se6Tl2、C2Cl2O4Pb2、C2H2Ag1O9S1 Tb1、C2H4Ca2Cl2O6、C2H6N2Rb2、C4H6B 12 Cs2I 12 N2、C4H8N2O4、H 20 B 12 Li2O4、 In1K2P2S7、La2P4S 14 Tl4、C8H 12 Ag2N4O4、Ag1As1K1S2、Ag1Cu1O4P1、Ag2Cs2P2Se6、Ag2O8P2V1、Ag2P2Se6Tl2、Al1As1Cu1O5、Al1Cu1O8P2Rb1、Al2Br6N2S2、Al2Br6N2Se2、As1F6N2S3、Ba1La1Sb2Se6、Ba1Mo2O 16 P4、C 10 F4Mn2O8、C 12 Bi2O 12 Ru4、C1O6P1Sn2、C2As2F 12 N2Te4、C2Cl 10 N2Sb2、C2Cu1O6Tl2、C2F6N4O6S4Se4、C2F6N4O6S8、C2H1Cs1O4、C2H2Na2O6、C2H4Cs2O6、C2H4F6O6S2Si2、C2H4Fe4O 14 P2、C2H4O 14 P2Zn4、C2H6K2N2、C2H6K4N8O 10 、C3H2Na1O7Zn1、C3H3Ba1O7、C4H 12 Cl8Nb2S2、C4H 18B2P2、C4H2Fe2O6、C4H2O8Tl2、C6H 10 O6Sn1、C6H4Mg2Na2O 14 、C6O 16 Rb2U2、Cd1Mo1O6P1、Cd1P2Rb2Se6、Cl 12 Mo2O4P2、Cs2O 12 P2U2、Cs4O2S 10 V2、Cu1P1Se3Tl1、Cu2P2S6Tl2、Cu2P2Se6Tl2、F2N4O6S8、Fe1I1N2O2、Fe1K2P2S6、Fe1K2P2Se6、Fe2K1O8P2、H 10 Br2N2O2、H 10 N2O8P2、H 12 N4O4P2、H 12 O6P2Rb4S6、H 14 Ni1O 12 P2、H2Hg6N4O 14 、H2O6P2Tl2、H3K1O6P2、H5O7P1V1、H6Cs2N2P4、H8K4O4P2S6、H8Li4O 12 P2、Hg1K2P2Se6、K2Mg1P2Se6、K2P2Se6Zn1、Li2O8P2V1、Mo2O 16 P4Sr1、Na2O8P2V1、Ni1O 10 P2V2、Ag3P4S 12 Tl5、Ba1In2O 14 P4、Ba1La2O 14 Te5、Ba1O8P2Th1、Ba2Gd2O 13 Si4、Bi2Cl8Hg3Te2、C1Ag2Cl1N1O4S1、C2Ag1N2Na1、C2F6Na2O4Sb2、C2H2Cs2O5、C2H2K2O5、C2H2K2O6、C2H2O5Rb2、C2H4B2O2、C2H6Fe1N2O4、C2H8Cl3Cu1N1、C2H8I2N4S2、C2N2O6S2、C4H 12 Mg1O6S4、C4H 16 F4Mn1N1O2、C4H4O 10 Th1、C4H6Ba1O 10 、C4H6Cd1O2S4、C4H6Na2O7、C4H6O7Sr1、C4H8Cd1Cl2N2、C4H8O 12<h2 style=";text-align:left;direction:ltr">Th1、C4H8O8Zn1、C6H6Ag3Co1N8、Cd3Na2O<h2 style=";text-align:left;direction:ltr"> 10 <h2 style=";text-align:left;direction:ltr"> Si3、Cl3Na2O<h2 style=";text-align:left;direction:ltr"> 12 <h2 style=";text-align:left;direction:ltr"> Te4Y3、Cu1Mo2O8Sb1、Eu1O8Rb1S2、F9K5O4U2、H<h2 style=";text-align:left;direction:ltr"> 14 <h2 style=";text-align:left;direction:ltr"> Na3Np1O<h2 style=";text-align:left;direction:ltr"> 12 <h2 style=";text-align:left;direction:ltr"> 、H2F4K1Mn1O1、H2F4Mn1O1Rb1、H4Ca2O<h2 style=";text-align:left;direction:ltr"> 13 <h2 style=";text-align:left;direction:ltr"> P3V1, H4F4O2Rb1V1, H8Ni1O<h2 style=";text-align:left;direction:ltr"> 10 <h2 style=";text-align:left;direction:ltr"> V2, Hg1In1S3Tl1, Hg1O7P2Pd1, K2Rb2Re6S<h2 style=";text-align:left;direction:ltr"> 13 <h2 style=";text-align:left;direction:ltr"> K4Mo8O<h2 style=";text-align:left;direction:ltr"> 52 <h2 style=";text-align:left;direction:ltr"> P<h2 style=";text-align:left;direction:ltr"> 12 <h2 style=";text-align:left;direction:ltr"> O<h2 style=";text-align:left;direction:ltr"> 14 <h2 style=";text-align:left;direction:ltr"> Sr3Te4U1, As2Cl3Hg3Tl1, Br3Hg3Sb2Tl1, H8Cs4O4P2Se6, H8O4P2Rb4Se6, La2O8S2Ta3, Cl1N2S1Se2, Cr2Li4N6Sr2, H6F6N2Si1, H6F1N1O2, H6F5N2Sb1, As6Ba4Cd3Li2, Ba4Cd3Li2P6, C4H<h2 style=";text-align:left;direction:ltr"> 12 <h2 style=";text-align:left;direction:ltr"> Cl8Nb2Se2、H8K4O4P2Se6、Ba1O7Sr1Ta2、Br9Cs5Nb2S4、Br9Nb2S4Tl5、Cl8 Cs5I1S4U2、Cl9Cs5Nb2S4、Cl9Nb2S4Tl5、F1K1Nb2O6Sr1、H1La2Li1O3、La1O<h2 style=";text-align:left;direction:ltr"> 11 <h2 style=";text-align:left;direction:ltr"> Sr2Ta3, C4N4Pt1Rb2, Cs1F3Mo1O2, H4Al1F5O2Zn1, K1Na2O<h2 style=";text-align:left;direction:ltr"> 15 <h2 style=";text-align:left;direction:ltr"> Si6Y1、La1Nb2O7Rb1、Li2O7P2Pd1<h2 style=";text-align:left;direction:ltr"> <h2 style=";text-align:left;direction:ltr"> O<h2 style=";text-align:left;direction:ltr"> 14 <h2 style=";text-align:left;direction:ltr"> P4Pd3Tl2、C4Cd1Hg1N4S4、C4Cd1Hg1N4Se4、C4Cd1N4S4Zn1、C4Cd1N4Se4Zn1、C4Co 1Cs1O4、C4Hg1N4S4Zn1、C4Hg1N4Se4Zn1、Cl1K2Na1O6S2、Ba1O7Si2V1、C4H8In1K1O<h2 style=";text-align:left;direction:ltr"> 12 <h2 style=";text-align:left;direction:ltr"> C4H8K1Lu1O<h2 style=";text-align:left;direction:ltr"> 12 <h2 style=";text-align:left;direction:ltr"> C8K1O8Y1, Cl2K5Na1O<h2 style=";text-align:left;direction:ltr"> 12S4, Br4Cs2I2Pd1, Br4I2Pd1Rb2, Cl4Cs2I2Pd1, Ba4Bi3K1O1, Ba4K1O1Sb3, Ba4O1Rb1Sb3, As2Cs2O8Th1, Ce1K 2O8P2, Cl2Cs2N2O6Pb1, As1K1Ni1O4, As1Na1Ni1O4, As2Ba1Ni2O8, Ba1Ni2O8P2, C4H4Cd1O6, Ca2Li6Mn2N6, Br 15 Cs2La1O3Ta6,Cl 18 Cs1Lu1Nb6, C8H 24 Cl 18 N2Nb6, Ce1O1P1Zn1, H 12 B 12 Br1Cs3,H 12 B 12 Br1K3,H 12 B 12 Br1Rb3, H 12 B 12 Cl1Cs3,H 12 B 12 Cl1Rb3, H 12 B 12 Cs3I1,H 12 B 12 I1K3, H 12 B 12 I1Rb3, As2Ba6Na2O 17 Ru2, Ba5Br2O9Ru2, Ba6Na2O 17 Ru2V2, C4Fe2Na6O 16 S1, Cs3Mo4O 16 P3, Ag3Ge3P6Sn2, Ag3P6Si3Sn2, C4Cd1K2N4, C4Hg1K2N4 and C4K2N4Zn1.

[0043] In one aspect of the present invention, - selecting a potentially catalytically active compound according to the selection method described above or from Table 1 above; - synthesizing a crystal of this potentially catalytically active compound so as to grow the crystal in a predetermined crystallographic orientation (characterized by its h, k, l-indexes) exposing the metallic surface state; or cutting the crystal in a predetermined crystallographic orientation (characterized by its h, k, l-indexes) exposing the metallic surface state. and a method is provided for controllably producing a catalyst having active surface site(s), comprising:

number

number

[0044] A further aspect of the present invention is - Selected in the manner described above, or Selected from Table 1, A compound comprising: - Compounds that do not result in a surface having a metallic surface state to a compound resulting in a surface having metallic surface features by cutting or growing crystals of the compound in a predetermined crystallographic orientation whereby the metallic surface features are revealed, the predetermined crystallographic orientation being determined as above.

[0045] Further, the present invention includes a catalyst selected from the compounds listed in Table 1, - growing a crystal of the selected compound in a given crystallographic orientation (characterized by its h,k,l-indices); or cutting in a given crystallographic orientation (characterized by its h,k,l-indices), The given crystallographic orientation is the orientation of the normal vector (h,k,l) ​​of the surface plane f(x,y,z)=0 that intersects the position of the disturbing WCC but is away from the position of the atom, and this condition is met by

number

number

[0046] How to make the compound The compounds of the invention can be grown, for example, from a stoichiometric mixture of the elements of the compound. The elements are mixed together and then heated, preferably to a temperature of about 300°C, preferably 200°C, most preferably 100°C higher than the melting point of the lowest melting point element, for 1 hour to 10 hours, preferably 2 hours to 8 hours, more preferably 3 hours to 7 hours, and then maintained at that temperature for 5 hours to 50 hours, preferably 10 hours to 30 hours, more preferably about 20 hours. Preferably, the mixture is placed in an inert crucible for heating, for example in a preferably sealed alumina crucible, for example in a quartz tube under a partial pressure of inert gas, for example Ar. The mixture is then slowly cooled to a temperature of about 450°C, preferably 400°C, more preferably 350°C, for 40 hours to 90 hours, preferably 50 hours to 80 hours, more preferably 55 hours to 65 hours.

[0047] In another method, a polycrystalline ingot is first prepared with a stoichiometric mixture of elements, for example using induction melting or arc melting techniques. The polycrystalline ingot is then crushed into a fine crystalline powder and packed into an alumina tube, preferably with a conical end, and then placed in a tantalum tube and completely sealed. The tube is then heated to a temperature above the melting point of the compound to obtain a completely molten state, and then slowly cooled to about 650°C and then cooled to room temperature.

[0048] In general, compounds are manufactured to grow in a given crystallographic orientation (characterized by its (h,k,l)-index) that exposes metallic surface states. It is known that the morphology of a crystal is closely related to the surface energy of each crystal surface. In the crystal growth process, crystal surfaces with high surface energy have a faster growth rate than surfaces with low energy. Thus, according to the thermodynamic equilibrium theory, the surfaces with high surface energy will disappear while the surfaces with the lowest total energy will survive (M.Khan et al., CrystEngComm, 2013, vol. 15, p. 2631). Therefore, a catalyst can be designed where the metallic surface state coincides with the surface with the lowest surface energy. When the metallic surface state is located on a crystal surface with high surface energy, it is possible to control the surface energy by using additives. Additives such as polyvinylpyrrolidone, sodium dodecyl sulfate, and hypophosphorous acid can bind to specific crystallographic surfaces and reduce the surface energy. This will slow down the crystal growth rate and change the morphology, exposing the desired crystal surface with metallic surface state (JP van der Eerden et al., Electrochim. Acta, 1986, vol. 31, p. 1007; A. Ballabh et al., Cryst. Growth Des., 2006, vol. 6, p. 1591). The crystal can also be "cut" at a given crystallographic orientation (characterized by its h, k, l-indexes) to expose the metallic surface state. In catalysts in the form of bulk crystals, the crystal structure and crystal orientation can be determined by single crystal X-ray diffraction. After the orientation is determined, the crystal can be cut along the specified direction to expose the desired crystal surface.

[0049] [Table 2-1] [Table 2-2] [Table 2-3]

Table 2-4

Table 2-5

Table 2-6

Table 2-7

Table 2-8

Table 2-9

Table 2-10

Table 2-11

Table 3-12

Table 2-13

Table 2-14

Table 2-15

Table 2-16

Table 2-17

Table 2-18

Table 2-19

Table 2-20

Table 2-21

Table 2-22

Table 2-23

Table 2-24

Table 2-25

Table 2-26

Table 2-27

Table 2-28

Table 2-29

Table 2-30

Table 2-31

Table 2-32

Table 2-33

Table 2-34

Table 2-35

Table 2-36

Table 2-37

[0050] [Figure 1] FIG. 1 is a diagram of the location of catalytically active sites in MoS2 crystals. [Diagram 2] FIG. 1 is a diagram of the location of metallic surface states on a MoS2 crystal. [Diagram 3] (a) Calculated surface states (lines) for the (100) surface of MoS2. It is clear that the surface states straddle the Fermi level. (b) Calculated surface states (lines) for the (001) surface of MoS2. [Figure 4]FIG. 1 is a diagram of a standard three-electrode electrochemical cell for HER. A bulk MoS2 single crystal with macroscopic edge and basal planes is shown. [Diagram 5] a) Linear polarization curves for the whole crystal (edge ​​+ basal plane), edge only, and basal plane of a MoS2 single crystal. b) Hydrogen bubbles are generated only at the edge at an overpotential of -0.57 V vs RHE.

Claims

1. 1. A method of making a catalyst having at least one metal surface state, comprising: a) Identifying all topological insulators in the ICSD; and b) Calculate the real-space invariants of the valence bands of all these topological insulators, thereby c) Identifying the Wyckoff sites where irreducible Wannier charge centers (WCCs) are localized in all these topological insulators, and then d) As a potential catalytically active compound, any atom of the topological insulator whose Wyckoff position of the WCC (= Wyckoff position of the hindered WCC, = WP ＯＡＩ ), and e) synthesizing a crystal of a selected potentially catalytically active compound such that the crystal is grown in a predetermined crystallographic orientation (characterized by its Miller indices (h, k, l)) exposing at least one metallic surface state; or cutting the crystal in a predetermined crystallographic orientation (characterized by its Miller indices (h, k, l)) exposing at least one metallic surface state. Including, The predetermined crystallographic orientation is the Wyckoff position (WP) of the interfering WCC. ＯＡＩ ) but crossing the selected Wyckoff positions (one or more) of the atoms of the topological insulator (=occupied Wyckoff positions (one or more), =WP ＯＣＣ ), the orientation of the normal vector (h, k, l) of the surface plane f(x, y, z) = 0 away from the [0010] and the interfering WCC is [0025] and the atoms of the selected potential catalytically active compound are localized in WP ＯＣＣ = {x ｉ , y ｉ , z ｉ |i∈occupiedposition}.

2. The method of claim 1 , wherein the topological insulator is a trivial insulator.

3. Alternatively to steps a) to d), the potentially catalytically active compound is Ba １ P ８ 、I ４ P ２ 、Mn １ P ４ 、Nb ２ Se ９ 、Os １ P ４ 、P ３ Ru １ 、P ４ Ru １ 、P ５ Re ２ 、Re １ S ２ 、Re １ Se ２ 、S ２ Tc １ 、Lu １ P ５ 、P ５ Y １ 、As １ Ge １ 、As １ Si １ 、Ba １ P ３ 、Bi １ S ２ 、Bi １ Se ２ 、Br ４ Nb １ 、Br ６ Si ２ 、C ２２ F １４ 、C ２ Ca １ 、Ca ５ P ８ 、Cl ３ Mo １ 、Cl ３ Y ２ 、Cl ４ Nb １ 、Cl ４ Ta １ 、Cs ５ Te ３ 、Ga １ Te １ 、Ge １ P １ 、Hg １ O ２ 、In １ Se １ 、K １ Sb ２ 、No １ P ２ 、O ２ Rb ２ ,P ３ Sr １ ,Rb １ Sb ２ 、Ag １ P ２ 、A ２ Co １ 、A ２ I １ 、A ２ Yes １ 、A ２ Rị １ 、Au １ O １ 、B ２ F ４ 、B ４ Mn １ 、Ca １ O ２ ,Cd １ P ４ ,Co １ P ２ ,Cs １ Te ４ ,Cs ２ I ８ 、Cu １ P ２ ,Fe １ P ４ ,Fe １ S １ ,Ga ２ I ３ ,Hg ２ N ６ ,Ir １ N ２ ,Ir １ P ２ ,Ir １ Sb ２ ,No １ P ７ ,No １ S ２ ,No １ Yes ２ 、Li ２ O ２ ,Mg １ P ４ 、N ２ O ４ 、N ２ S ２ 、O ２ Tc １ ,P ２ Rh １ 、P ７ Pb １ 、Rh １ Sb ２ 、Rh １ Si １ 、Sb １ Zn １ 、Ba １ S ２ 、Ba １ Se ２ 、C ２ Ba １ 、C ２ Sr １ 、I ６ Pt ２ 、Ni １ P ２ 、O ２ Si １ 、P ２ Pd １ 、S ２ Yb １ 、S ４ V １ 、Se ３ Tl ２ 、Se ９ V ２ 、Te ３ Tl ２ 、As ３ Ca ４ 、Cs ２ Te ２ 、K ２ O ２ 、Rb ２ Te ２ 、As ２ Fe １ 、As ２ Os １ 、As ２ Ru １ 、C １ N １ 、Fe １ P ２ 、Fe １ S ２ 、Fe １ Sb ２ 、Fe １ Se ２ 、In １ S １ 、N ２ Pt １ 、Os １ P ２ 、Os １ Sb ２ 、P ２ Ru １ 、Ru １ Sb ２ 、Ru １ Te ２ 、Ge ３ Os ２ 、Ge ３ Ru ２ 、Os ２ Si ３ 、Ru ２ Si ３ 、As １ Cd １ 、As １ Zn １ 、B ２ Cl ４ 、C ２ N ２ 、Cd １ Sb １ 、Cl １ O ２ 、P ４ Re １ 、P ４ Tc １ 、Pd １ S ２ 、B ２ Fe １ 、Na １ P ５ 、P ３ Re １ 、P ３ Tc １ 、Ba ５ P ４ 、Ba ５ Sb ４ 、K １ Tl １ 、Ba １ O ２ 、F ３ La １ 、As ６ Cs ４ 、As ６ Rb ４ 、Cs ４ P ６ 、K ４ P ６ 、P ６ Rb ４ 、Al ２ Ru １ 、Ga ２ Os １ 、Ga ２ Ru １ 、C ２ Li ２ 、C ２ Na ２ 、Cs ２ O ２ 、Cs ２ S ２ 、Rb ２ S ２ 、B ３ Si １ 、H ６ Ru １ 、O ６４ Si ３２ 、K ５ Te ３ 、B １０ F １２ 、Li １ Si １ 、C １ N ２ 、Cs １ In ３ 、Ga ３ K １ 、Ga ３ Rb １ 、H ８ Si １ 、C ２ Mg １ 、Fe １ Ga ３ 、Ga ３ Os １ 、Ga ３ Ru １ 、In ３ Ru １ 、Li ２ S ２ 、B ４ Os １ 、Cl ２ Zn １ 、Hg １ I ２ 、Hg ２ I ４ 、Al ２ Os １ 、As １ Ca ２ 、Bi １ Ca ２ 、Br １ Hg １ 、Br ２ Hg ２ 、Cl ２ Hg ２ 、F ２ Hg ２ 、Ga ３ K ２ 、Hg １ I １ 、Hg ２ I ２ 、In ３ Rb ２ 、O ２ Sr １ 、Ba １ Te ２ 、O ２ Zn １ 、S ２ Sr １ 、Au １ Br １ 、Au １ Cl １ 、O ３ U １ 、Br １２ Zr ６ 、Cl １２ Zr ６ 、I １２ Zr ６ 、I ６ Si ２ 、As １ B ６ 、As ２ B １２ 、B １２ P ２ 、B １２ Si ３ 、B ６ O １ 、B ６ P １ 、Br ８ Nb ３ 、C １ B ４ 、C ３ B １２ 、Ga １ S １ 、I ８ Nb ３ 、Cr １ N ２ 、Ga １ Se １ 、Mo １ N ２ 、N ２ W １ 、Ca １ P １ 、Ca ２ P ２ 、K ２ 2 ２ 、 ２ 10 ２ 、Nr ２ 9. The ２ 、Nr ２ 2 ２ 、2 １ 20 １ 、4 ２ 10 １ 、N １ 9 ２ 、 ２ 10 ２ 、Nr １ 2 ２ 、Nr １ 10 ２ 、Nr １ 10 ２ 、Nr １ 2 １ 、Nr ２ 10 ２ 、S ２ 6 １ 、S ２ 6 １ 、THE ２ 6 １ 、S ２ 99 １ 、Sh １ 9 ２ 、Cd １ ﳳ ２ 、Cd １ ｳe ２ 、e １ Te ２ 、g １ 9 ２ 、g １ ｳe ２ 、g １ Te ２ 、8 ２ Pd １ 、s １ ﳳ ２ 、s １ ｳe ２ 、s １ Te ２ 、, ２ Pt １ 、2u １ ﳳ ２ 、2u １ ｳe ２ 、′′ ２ b. １ 、ｳe ２ b. １ 、｡g １ Br １ 、｡g １ 3l １ 、｡g １ 9 １ 、 ４ ｦe １ 、Be ５ Pt １ 、Br １ Cu １ 、Cd １ ﳳ １ 、Cd １ ｳe １ 、Cd １ Te １ 、Cl １ Cu １ 、Cu １ 9 １ 、Cu ５ Tb １ 、9 １ b. １ 、′′ １ 3. １ 、′′ １ b. １ 、ｳe １ b. １ 、4e １ b. １ and B ６ Ca １ and B ６ Si １ and B ６ Sr １ and B １ Li １ and Al ２ Cd ２ Cl ８ and Al ４ Cl １４ Te ４ and As １ Fe １ S １ and Au １ Br ８ Te １ and B １８ Cs ８ S １８ and B １８ Rb ８ S １８ and B １８ Rb ８ Se １８ and B ８ Br ６ P ４ and Bi ２ Br ８ Te ４ and Bi ４ Cl １６ Te １４ and Bi ６ Cl ２０ Te ４ and Br １２ Ta ２ Te ４ and Br １ Mo １ Te ４ and Br ２ Nb １ S ２ and Br ２ Nb １ Se ２ and C ２２ Co ６ O １８ and C ２ I １０ La ６ and C ２ O ４ Pb １ and Cl １２ Ta ２ Te ４ and Cl １８ P ２ Re ２ 、Cl ２ Nｺ １ Se ２ 、Cl ５ O ４ Re ２ 、Cl ６ Hf １ Te ４ 、Cl ８ Ga ２ Hg ２ 、Cs １ Sb ２ Se ４ 、Cs ２ S ６ Sn ２ 、Cs ２ S ８ Sb ４ 、Cs ２ Se ６ Sn ２ 、Cs ４ P ２ Se １０ 、Cu ４ P ３ Se ４ 、F １２ I ４ Sb ２ 、F １２ Sb ２ Te ４ 、Ge １ Li １ Te ２ 、Ge ２ Te ６ Tl ６ 、Hg １ O ３ V １ 、Hg ２ P ２ S ６ 、I １２ Nｺ ２ Te ８ 、I １ This １ Te ４ 、In ２ O ５ P １ 、K ２ O ８ S ２ 、K ２ Sb ４ Se ８ 、La ６ 9. The １８ 10 ４ 、4) １ 10 １ 2 ２ 、Nr ４ 9 １４ 20 １０ 、Nr ２ 9. The ８ 2 ２ 、SQ ２ S.S ４ 10 ８ 、S ２ 10 ６ AND ６ 、S ２ 10 ２ 20 １ 、4 ２ Dh １ 9. The ４ 、S ２ 90 ７ S.S ５ 、M ３ 10 ６ s ４ 、3 ９ 10 ３ (S) ２ 、S ７ 10 ３ 10 ５ 、Nr ２ 10 ５ 10 １ 、 ４ 10 ８ 10 ４ 、S １ 9. The ４ 6 １ 、S １ 10 ２ N ２ 、S ２ 9 １２ 10 ４ 、S ３ The ２ 10 ２ 、S ３ 20 ２ yes ２ 、M ５ 10. The １ 9 ５ 、3 ４ 20 ２ 10 １ 、MY １０ 10 ４ s ２ 、4 １ 3 ２ O ２ 、C １ N １ Th １ 、C ２ Br ２ Gd ２ 、C ２ Lạ ２ O ２ 、C ４ Cs ２ O ４ 、C ４ Li ２ O ４ 、C ４ O ４ Ra ２ 、Cd １ P １ S ３ 、Cd ２ P ２ S ６ 、Cd ６ Sb １２ Sr １１ 、* ２ Hg ２ P １ 、* ２ Nb １ S ２ 、Fe １ P １ S ３ 、Fe ２ P ２ S ６ 、Ge １ K ３ S ３ 、Ge ２ K ６ S ６ 、Ge ２ K ６ ee ６ 、Hg ６ O ７ Si ２ 、I ２ O １ Ta １ 、K ６ Si ２ Te ６ 、Mg １ P １ S ３ 、N ４ P ２ S ６ 、Ni １ P １ S ３ 、Ni １ P １ Se ３ 、Ni ２ P ２ S ６ 、P １ S ３ Zn １ 、P ２ S ６ V ２ 、P ２ S ６ Zn ２ 、P ６ S １８ Zn ４ 、Hg ２ Mo ２ O ７ 、Hg ２ O ４ S １ 、Hg ２ O ４ Se １ 、Hg ４ O ７ P ２ 、K ２ Mo ８ O １６ 、Ag ５ Ge １ O ４ 、As １ Cd ２ Cl ２ 、As １ Fe １ Se １ 、As １ Fe １ Te １ 、As １ Ru １ Te １ 、As ２ Cs ４ Te ６ 、As ２ F １２ Hg ４ 、As ２ Hg ６ O １０ 、As ２ Hg ６ O ８ 、Ba １ P ３ Pt ２ 、Ba ２ P ２ S ６ 、Ba ２ P ２ ee ６ 、 ６ P ６ Se ２ 、Bi １ Os １ ee １ 、Br １４ G ４ Te ４ 、Br ３ Hg ２ Te １ 、C １ D １ K １ O ３ 、C ２ A0 ２ O ４ 、C ２ Cd １ O ４ 、C ２ H ６ O ６ 、C ２ Li ２ O ４ 、C ２ Na ２ O ４ 、C ２ O ４ TS ２ 、C ２ O ４ Zn １ 、C ４ Na ２ O ４ 、 １ Mo ５ O ８ 、 ２ P ２ S ６ 、 ２ P ２ ee ６ 、Cd ２ C- ２ P １ 、* １４ G ４ Te ４ 、* ３ Cu １ K １ 、* ３ Mo １ S ２ 、* ７ O ３ Re ２ 、Co １ K ２ O ２ 、Cs １ O ５ V ２ 、Cs ２ O ８ S ２ 、Cs ２ Se ６ Te ２ 、Cu １ L ２ S ４ 、Fe １ P １ S １ 、Fe １ P １ Se １ 、Fe １ S １ Sb １ ,Fe １ Sb １ Se １ 、Fe １ Sb １ Te １ 、Ge ２ No ６ Se ６ 、Ge ２ No ６ Te ６ 、H ４ B ２ O ４ 、Hg １ O ４ Re １ 、Hg ２ N ２ O ４ 、Hg ４ N ２ O ８ 、Hg ６ O ８ P ２ 、I １ Nｺ ２ Te ６ 、In ４ P ６ S １８ 、K ４ O ８ P ２ 、K ６ Se ６ Sn ２ 、K ６ Sn ２ Te ６ 、Mo ５ O ８ Sr １ 、Na ６ Yes ２ Te ６ 、Os １ P １ S １ 、Os １ P １ Se １ 、Os １ S １ Sb １ 、Os １ Sb １ Se １ 、Os １ Sb １ Te １ ,P １ Pb １ Se ３ ,P １ Ru １ S １ ,P １ Ru １ Se １ ,P １ Se ３ Sn １ ,P ２ Pb ２ S ６ ,P ２ Pb ２ Se ６ ,P ２ S ６ Sn ２ ,P ２ S ６ Sr ２ ,P ２ Se ６ Sn ２ ,P ２ Se ６ Sr ２ ,P ２ Se ６ Tl ４ 、Rhu １ S １ Sb １ 、Rhu １ Sb １ Se １ 、Rhu １ Sb １ Te １ 、 Ag ２ O ２ Pb １ 、As １ F ６ I ５ 、As ３ Br １ Cd ２ 、As ３ Br １ Hg ２ 、As ３ Cd ２ I １ 、As ６ Ba １ Pt ４ 、As ６ Pt ４ Sr １ 、Au １ Cl １ O ２ 、Au １ Cl ４ Cs １ 、Au １ Cl ４ Rb １ 、Au １ Cl ４ Tl １ 、Au １ F ４ Li １ 、Au １ Li １ S １ 、B ２ Li ２ Se ５ 、Bi ３ Cl １ O ４ 、Br １ Cd ２ P ３ 、Br ２ Hg ２ O ６ 、C ２ O ４ Sn １ 、C ４ Ag ２ O ４ 、CT ２ Cl １ P ３ 、CT ２ I １ P ３ 、CT ２ O １２ P ４ 、Cl １ Hg ２ O １ 、Cl １ Hg ２ P ３ 、Cl ２ Hg ４ O ２ 、Cl ４ Os １ Sc ４ 、Cs １ F ７ Sb ２ 、Cs ２ Re ３ Se ６ 、Cs ４ Re ６ S １３ 、Cs ４ Re ６ Se １３ 、Cs ４ S １３ Tc ６ 、Cs ４ Se １３ Tc ６ 、Cs ６ Yes ２ Se ６ 、Cs ６ Yes ２ Te ６ 、Cs ６ Sn ２ Te ６ 、Cu ２ O ２ Pb １ 、Cu ２ Re ３ Se ６ 、Fe ２ O １２ P ４ 、Ge ２ k ６ Te ６ 、Hg ２ P ２ Se ６ 、K ２ Re ３ S ６ 、K ２ Re ３ Se ６ 、K ４ Re ６ Se １２ 、K ４ S １２ Tc ６ 、K ４ Se １２ Tc ６ 、Mn ２ Mo １ P １２ 、Na ２ Nb ４ O １１ 、Na ２ Re ３ S ６ 、Na ２ Re ３ Se ６ 、O ３ Si １ Sr １ 、O ４ Pd １ S １ 、O ４ Pt １ S １ 、O ７ P ２ Pd ２ 、P ６ Pt ４ Sr １ 、Rb ２ Re ３ S ６ 、Rb ２ Re ３ Se ６ 、Rb ４ Re ６ S １２ 、Rb ４ Re ６ S １３ 、Rb ４ Re ６ Se １２ 、Rb ４ S １３ Tc ６ 、Rb ４ Se １２ Tc ６ 、Re ３ S ６ Tl ２ 、Re ３ Se ６ Tl ２ 、Re ６ Se １２ Tl ４ 、Br １１ Cs １ Nb ４ 、Br １１ Nb ４ Rb １ 、Cl １１ Cs １ Nb ４ 、Cl １１ Nb ４ Rb １ 、Al ２ Ca ５ Sb ６ 、Al ２ Cl ８ Se ４ 、As ６ Ca ５ Ga ２ 、Ba １ Nb ８ O １４ 、Ba ３ O １ Sb ２ 、Ba ５ In ２ Sb ６ 、C ２ K ２ O ４ 、C ２ O ４ Rb ２ 、Ca ５ In ２ Sb ６ 、In ２ Sb ６ Sr ５ 、Nb ８ O １４ Sr １ 、Ag ５ O ４ Si １ 、Br １ Hg ２ P ３ 、Nb ２ Ni １ O ６ 、O ９ P ２ V ２ 、Al ２ Cl ８ Te ４ 、Au １ O ４ S １ 、Cl ２ N ４ S ６ 、Yes １ Yes １ Te １ 、Cu １ O ３ Se １ 、Cu １ P ２ Se １ 、Ge １ Rh １ Te １ 、O ６ P ２ Tl ４ ,Pt １ Sb １ Yes １ 、All １ k １ Sb ４ 、All １ P ３ Yes １ 、As １ L １ Te １ 、As ２ Hg ４ O ７ 、Ba １ P ４ Te ２ 、Cs ２ Yes １ Te ４ 、Cs ２ Sn １ Te ４ 、Ga １ k １ Sb ４ 、H ２ B １ Li １ 、La １ Mn １ S ３ 、La １ P １ S １ ,P １ S １ Y １ ,P ２ Ru ２ Th １ 、I １ k ４ P ２１ 、I １ P ２１ Ra ４ 、B １２ Li ２ Si ２ 、B ２ Ba １ ee ６ 、In ９ K １ Na ３ 、 ２ O ２ S ２ 、N ４ P ２ ee ６ 、Nb １ P ２ S ８ 、F ６ Pa １ Ra １ 、 １ Na １ S １ 、Cs ２ Ni ３ S ４ 、Cs ２ Ni ３ ee ４ 、Cs ２ Pd ３ ee ４ 、Cs ２ Pt ３ S ４ 、Cs ２ Pt ３ ee ４ 、 ２ O ４ U １ 、N ２ O ４ U １ 、Ni ３ Ra ２ S ４ 、Pt ３ Ra ２ S ４ 、 １ Cs １ F ４ 、 ５ Cs ７ O ２ 、 ５ O ２ Ra ７ 、Br ３ Cs １ Li ２ 、* ２ I ２ Ta １ 、* ３ Cs １ Li ２ 、Hf ２ N ２ S １ 、 ２ Ni １ O ２ 、N ２ O ３ Ti １ 、N ２ O ４ Pd ３ 、O ３ Pd １ Sr ２ 、-- １ B １４ Li １ 、 １ Ce １ O ３ 、C ２ B １３ Li １ 、 １１ K ３ Te １６ 、O ４ P １ ღ １ 、O ４ Si １ Zn ２ 、P ２ S ６ Th １ 、P ２ S ６ Zr １ 、 ９ Br ３４ O １ Pr ６ 、Bi ４ I ２ R １ 、 ４ O １０ Re ２ 、Br ２ Cs １ F １ 、C ２ A0 １ K １ 、C ２ Au １ Cs １ 、C ２ Au １ K １ 、C ２ Au １ Na １ 、C ２ Au １ Ra １ 、C ２ Cu １ Ra １ 、C ２ A0 １ Cs １ 、C ２ Cu １ K １ 、* ３ O １ W １ 、I ３ O １ W １ 、 ６ O ４ Zn １ 、* ６ Hf １ ee ４ 、* ６ ee ４ Zr １ 、Br ２ Cs ２ F ２ 、Cs ２ I ６ Pd １ 、C ４ Ba １ O ４ 、Ag ３ Cu １ S ２ 、 １ Cu ２ O ２ 、 １ O ７ U ２ 、C ４ O ４ Pb １ 、Cd １ I ２ O ４ 、* ２ O １ Pd ２ 、 ２ O ２ Sr １ 、-- １ Si １ Te ３ 、B １２ Br １２ Cs ２ 、B １２ C- １２ Cs ２ 、B １２ Cs ２ I １２ 、Cd ２ P ２ Se ６ 、Cs ８ O １ Tl ８ 、Fe １ P １ Se ３ 、Fe ２ P ２ Se ６ 、Mg ２ P ２ Se ６ 、Nb ６ O １２ Ti ２ 、As ２ Hg ２ O ６ 、Ca １ O ６ Os ２ 、O ６ Ru ２ Sr １ 、C ２ Cs ２ Pd １ 、C ２ Cs ２ PT １ 、C ２ K ２ Pd １ 、C ２ K ２ PT １ 、C ２ Na ２ Pd １ 、C ２ Na ２ PT １ 、C ２ Pd １ Rb ２ 、C ２ PT １ Rb ２ 、H ２ B ２ Ca １ 、Mg ３ Nb ６ O １１ 、O ２ Pr ２ S １ 、O ２ Pr ２ Se １ 、B ９ Mg １ N １ 、Cs ４ O １ Tl ２ 、F １ Gd １ O １ 、H ８ F ４ N ２ 、Br ９ O ２ Rb ３ 、C ９ Fe ２ O ９ ,Mo １ S １ Yes １ 、 Ag ２ I １０ Tl ６ 、Ba ５ O １０ Ru ２ 、Ca １ Ga ２ P ２ 、Ca １ In ２ P ２ 、Cl ９ Cs ３ Ru ２ 、Cl ９ Cs ３ Ti ２ 、Cs ３ F ９ Fe ２ 、Cs ３ I ９ Zr ２ 、In ２ P ２ Sr １ 、K １ Nb １ S ２ 、K １ Nb １ Se ２ 、Li １ Nb １ O ２ 、Li １ Nb １ S ２ 、Na １ Nb １ O ２ 、Na １ Nb １ S ２ 、Na １ Nb １ Se ２ 、H １２ B １２ Cs ２ 、H １２ B １２ K ２ 、H １２ B １２ Rb ２ 、H １２ B １２ Tl ２ 、H ２０ B １２ N ２ 、As １ Rb ３ Se １６ 、K ３ P １ ee １６ 、H ６ C- ２ N ２ 、F ６ O ２ Pt １ 、Ag １ Cu ４ Tb １ 、 １ c １ Se １ 、Bi １ Co １ Zr １ 、Bi １ Lu １ Ni １ 、Bi １ Ni １ c １ 、.) １ i １ ﹹ １ 、|o １ 3) １ () １ 、|| １ 2) １ () １ 、Fe １ b １ 3) １ 、Fe １ 3) １ . １ 、ｧe １ 4 １ () １ 、Hf １ i １ 3) １ 、Hf １ 0) １ 3) １ 、u １ i １ 3) １ 、b １ 2) １ 3) １ 、!) １ 3) １ 3 １ 、!) １ 3) １ ﹹ １ 、!) １ 3) １ () １ 、!) １ 3) １ _ １ 、O ４ 3 １ : １ 、.d １ 3) １ 3 １ 、.t １ 3) １ 3 １ 、.t １ 3) １ ﹹ １ 、.t １ 3) １ () １ 、() １ 3) １ () １ 、u １ 3) １ () １ 、u １ 3) １ V １ 、Ag ６ Ge １０ P １２ 、Nb ３ Sb ２ Te ５ 、In ３ O ８ P ２ 、Fe ２ Ge １ Ti １ 、H ６ B ６ Cs ２ 、H ６ B ６ K ２ 、Ag ２ Mo １ O ４ 、Ag ６ K ２ S ４ 、Al １ Cs １ O ２ 、Al １ K １ O ２ 、Al １ O ２ Rb １ 、Al ２ Cd １ O ４ 、Al ２ Cd １ S ４ 、Al ２ Cd １ Se ４ 、Al ２ Hg １ S ４ 、Al ２ Hg １ Se ４ 、Al ２ O ４ Zn １ 、Al ２ S ４ Zn １ 、Al ２ Se ４ Zn １ 、As ４ He ２ O ６ 、Ba ２ Ge ４ S １０ 、Cd １ Ga ２ O ４ 、Cd １ I ２ S ４ 、Cd １ I ２ ee ４ 、Cd １ Lu ２ S ４ 、Cd １ Lu ２ ee ４ 、Cd １ O ４ ღ ２ 、Cd １ S ４ c ２ 、Cd １ S ４ Y ２ 、Cd １ c ２ ee ４ 、Cd １ ee ４ Y ２ 、Cd ２ O ４ Si １ 、Cd ２ O ４ Se １ 、* ４ Li ２ Zn １ 、Cs １ N ２ Nb １ 、 ２ O ４ Zn １ 、Hg １ I ２ S ４ 、In ２ O ４ Zn １ 、In ２ S ４ Zn １ 、K ８ Sb ４ Se １ 、Lu ２ MM １ S ４ 、Lu ２ MM １ ee ４ 、Mg １ O ４ ღ ２ 、Mg １ ee ４ Y ２ 、O ４ Rh ２ Zn １ 、O ４ Sn １ Zn ２ 、S ４ Sc ２ Zn １ 、S ４ Y ２ Zn １ 、Se ４ Y ２ Zn １ 、 A0 １ Bi １ P ２ S ６ 、As １ C- ３ F ６ S ３ 、As ２ Cd １ Ge １ K １ 、As ２ Cd １ Ge １ Ra １ 、B １８ Cs ４ Hg ２ ee １８ 、B １８ Hg ２ Ra ４ ee １８ 、B ３ Cu １ Li ３ O ７ 、Br １０ O １ Ta ２ Te ４ 、C １０ H １８ Cu ２ N ２ O １０ 、C １０ H １８ N ２ O １０ ღ ２ 、C １ F ３ Hg １ O ３ S １ 、C １ H ５ Eu １ O ７ P １ 、C １ H ５ Nd １ O ７ P １ 、C １ H ５ O ７ P １ Pr １ 、C ２ H １０ G ２ Ge ４ N ２ O １２ 、C ２ H ２６ B １２ N ８ 、C ２ H ６ Ca １ O ７ 、C ２ H ６ K ２ O １３ S １ U １ 、C ２ H ６ O １２ U ２ 、C ２ H ８ Br ３ Cu １ N １ O １ 、C ２ H ８ I ２ O １４ ee ２ 、C ３ H ７ F １ N １ O ５ Se １ 、C ４ H １１ N １ O １０ 、C ４ H １２ Ba ２ N ２ O １０ S ２ 、C ４ H １２ Fe １ O ６ S ４ 、C ４ H １２ N ６ O １４ ee ２ U ２ 、C ４ H １４ F ３ N １ O ２ V １ 、C ４ H １６ C- ６ Cu ２ N ２ 、C ４ H ７ Cs １ O １０ 、C ４ H ７ K １ O １０ 、C ５ H １０ N １ O ６ 、C ６ F ６ Na ４ O １２ Se ４ 、C ６ H １２ Fe １ N ８ O ８ 、C ６ H ４ Na ４ Np ２ O １８ 、C ８ H ２０ N ６ O １８ S ２ U ２ 、C ８ H ２８ F ６ N ２ O ４ V ２ 、C ８ H ４ K ６ N ８ O ６ Os ２ S ２ 、C ８ I ２ Mo ２ O ８ 、* １０ Mo ２ N ４ S ４ 、* １０ Nb ２ O １ Te ４ 、* ２ N ４ O １２ S １０ 、Cs ２ P ２ ee ６ Zn １ 、 １ O ９ ee ３ Sr ２ 、 ２ Na ２ O １１ Si ４ 、F ２ N ２ O ４ Xe １ 、F ２ O ７ Te ２ V ２ 、H １０ F ８ I ２ N ２ O ２ 、H １２ I ８ MM １ O ６ 、H １２ MM １ O １２ S ２ 、H １２ O １２ S ２ Zn １ 、H １４ Hg ２ O １４ Te ２ 、H １４ N ４ O ８ S ２ 、H １６ B １２ Na ２ O １４ S ６ 、H １８ O １２ ee ４ Se １ Sr ２ 、H ２４ Li ２ N ８ Te ２ 、H ２６ B ２０ K ４ O ４ 、H ３２ N １４ ee ６ Se ２ 、H ３４ C- ４ Cr ２ N ８ O ６ 、H ４ Cu ２ Na ２ O １３ Si ４ 、H ６ B ２ F ８ N ２ 、H ６ Cs ２ O １２ P ４ 、H ６ F ２２ N ２ Sb ４ 、H ６ O １２ P ４ Ra ２ 、H ８ Na ６ O １４ P ４ 、K ４ Mn １ Mo ３ O １２ 、K ４ N ２ O １４ S ４ 、Lu １ Na １ P ２ S ６ 、N １ P ２ S ６ Tb １ 、N １ P ２ S ６ Y １ 、P ２ Ra ２ ee ６ Zn １ 、C ４ H ３ Cs １ O １４ U ２ 、C ４ H ５ K １ O １５ U ２ 、C ４ H ５ O １５ Ra １ U ２ 、Cs ２ Cu ２ O １９ Si ８ 、 ２ Ge ４ O １３ c ２ 、K ３ P ５ R １ ｳe １０ 、｡g ２ Br ６ gg ７ P ８ 、｡g ２ gg ７ 9 ６ P ８ 、｡u ２ K ２ P ２ ｳe ６ 、｡u ２ La ４ 9 ２ P ４ 、｡u ２ P ２ ｳe ６ 4l ２ 、C ２ 3l ２ 9 ４ Pb ２ 、C ２ 8 ２ Ag １ 9 ９ ﳳ １ Tb １ 、C ２ 8 ４ Ca ２ 3l ２ 9 ６ 、C ２ 8 ６ 8. ２ b ２ 、C ４ 8 ６ B １２ Cs ２ 9 １２ 8. ２ 、C ４ 8 ８ 8. ２ 9 ４ 、 ̈ ２０ B １２ Li ２ 9 ４ 、9n １ K ２ P ２ ﳳ ７ 、La ２ P ４ ﳳ １４ 4l ４ 、C ８ 8 １２ Ag ２ 8. ４ 9 ４ 、｡g １ As １ K １ S ２ 、Ag １ Cu １ O ４ P １ 、Ag ２ Cs ２ P ２ Yes ６ 、Ag ２ O ８ P ２ V １ 、Ag ２ P ２ Yes ６ Tl ２ 、Al １ Yes １ Cu １ O ５ 、Al １ Cu １ O ８ P ２ Rb １ 、Al ２ Br ６ N ２ S ２ 、Al ２ Br ６ N ２ Yes ２ 、A １ F ６ N ２ S ３ ,Ba １ Yes １ Sb ２ Yes ６ ,Ba １ Mỏ ２ O １６ P ４ 、C １０ F ４ Mn ２ O ８ 、C １２ Yes ２ O １２ Ru ４ 、C １ O ６ P １ Sn ２ 、C ２ Yes ２ F １２ N ２ Te ４ 、C ２ Cl １ ０ N ２ Sb ２ 、C ２ Cu １ O ６ TS ２ 、C ２ F ６ N ４ O ６ S ４ ee ４ 、C ２ F ６ N ４ O ６ S ８ 、C ２ H １ Cs １ O ４ 、C ２ H ２ Na ２ O ６ 、C ２ H ４ Cs ２ O ６ 、C ２ H ４ F ６ O ６ S ２ Si ２ 、C ２ H ４ Fe ４ O １４ P ２ 、C ２ H ４ O １４ P ２ Zn ４ 、C ２ H ６ K ２ N ２ 、C ２ H ６ K ４ N ８ O １０ 、C ３ H ２ Na １ O ７ Zn １ 、C ３ H ３ Ba １ O ７ 、C ４ H １２ C- ８ Nb ２ S ２ 、C ４ H １８ B ２ P ２ 、C ４ H ２ Fe ２ O ６ 、C ４ H ２ O ８ TS ２ 、C ６ H １０ O ６ Se １ 、C ６ H ４ MM ２ Na ２ O １４ 、C ６ O １６ Ra ２ U ２ 、Cd １ Mo １ O ６ P １ 、Cd １ P ２ Ra ２ ee ６ 、* １２ Mo ２ O ４ P ２ 、Cs ２ O １２ P ２ U ２ 、Cs ４ O ２ S １０ V ２ 、 １ P １ ee ３ TS １ 、 ２ P ２ S ６ TS ２ 、 ２ P ２ ee ６ TS ２ 、 F ２ N ４ O ６ S ８ 、Fe １ I １ N ２ O ２ 、Fe １ K ２ P ２ S ６ 、Fe １ K ２ P ２ Se ６ 、Fe ２ K １ O ８ P ２ 、H １０ Br ２ N ２ O ２ 、H １０ N ２ O ８ P ２ 、H １２ N ４ O ４ P ２ 、H １２ O ６ P ２ Rb ４ S ６ 、H １４ Ni １ O １２ P ２ 、H ２ Hg ６ N ４ O １４ 、H ２ O ６ P ２ Tl ２ 、H ３ K １ O ６ P ２ 、H ５ O ７ P １ V １ 、H ６ Cs ２ N ２ P ４ 、H ８ K ４ O ４ P ２ S ６ 、H ８ Li ４ O １２ P ２ 、Hg １ K ２ P ２ ee ６ 、K ２ MM １ P ２ ee ６ 、K ２ P ２ ee ６ Zn １ 、 ２ O ８ P ２ V １ 、 ２ O １６ P ４ Sr １ 、N ２ O ８ P ２ V １ 、Ni １ O １０ P ２ V ２ 、Ag ３ P ４ S １２ TS ５ 、 １ I ２ O １４ P ４ 、 １ Lạ ２ O １４ Te ５ 、 １ O ８ P ２ Th １ 、 ２ Gd ２ O １３ Si ４ 、Bi ２ C- ８ Hg ３ Te ２ 、C １ A0 ２ C- １ N １ O ４ S １ 、C ２ A0 １ N ２ Na １ 、C ２ F ６ Na ２ O ４ Sb ２ 、C ２ H ２ Cs ２ O ５ 、C ２ H ２ K ２ O ５ 、C ２ H ２ K ２ O ６ 、C ２ H ２ O ５ Ra ２ 、C ２ H ４ B ２ O ２ 、C ２ H ６ Fe １ N ２ O ４ 、C ２ H ８ C- ３ Cu １ N １ 、C ２ H ８ I ２ N ４ S ２ 、C ２ N ２ O ６ S ２ 、C ４ H １２ MM １ O ６ S ４ 、C ４ H １６ F ４ Mn １ N １ O ２ 、C ４ H ４ O １０ Th １ 、C ４ H ６ Ba １ O １０ 、C ４ H ６ Cd １ O ２ S ４ 、C ４ H ６ Na ２ O ７ 、C ４ H ６ O ７ Sr １ 、C ４ H ８ Cd １ C- ２ N ２ 、C ４ H ８ O １２ Th １ 、C ４ H ８ O ８ Zn １ 、C ６ H ６ A0 ３ Co １ N ８ 、Cd ３ Na ２ O １０ Si ３ 、* ３ Na ２ O １２ Te ４ Y ３ 、 １ Mo ２ O ８ Sb １ 、Eu １ O ８ Ra １ S ２ 、F ９ K ５ O ４ U ２ 、H １４ Na ３ Np １ O １２ 、H ２ F ４ K １ Mn １ O １ 、H ２ F ４ Mn １ O １ Ra １ 、H ４ Ca ２ O １３ P ３ V １ 、H ４ F ４ O ２ Ra １ V １ 、H ８ Ni １ O １０ V ２ 、Hg １ I １ S ３ TS １ 、Hg １ O ７ P ２ Pd １ 、K ２ Ra ２ Re ６ S １３ 、K ４ Mo ８ O ５２ P １２ 、O １４ Sr ３ Te ４ U １ 、As ２ C- ３ Hg ３ TS １ 、Br ３ Hg ３ Sb ２ TS １ 、H ８ Cs ４ O ４ P ２ ee ６ 、H ８ O ４ P ２ Ra ４ ee ６ 、 ２ O ８ S ２ Ta ３ 、* １ N ２ S １ ee ２ 、Cr ２ Li ４ N ６ Sr ２ 、H ６ F ６ N ２ Si １ 、H ６ F １ N １ O ２ 、H ６ F ５ N ２ Sb １ 、As ６ Ba ４ Cd ３ Li ２ 、 ４ Cd ３ Li ２ P ６ 、C ４ H １２ C- ８ Nb ２ ee ２ 、H ８ K ４ O ４ P ２ ee ６ 、 １ O ７ Sr １ Ta ２ 、Br ９ Cs ５ Nb ２ S ４ 、Br ９ Nb ２ S ４ TS ５ 、* ８ Cs ５ I １ S ４ U ２ 、* ９ Cs ５ Nb ２ S ４ 、* ９ Nb ２ S ４ TS ５ 、F １ K １ Nb ２ O ６ Sr １ 、H １ Lạ ２ Li １ O ３ 、 １ O １１ Sr ２ Ta ３ 、C ４ N ４ Pt １ Ra ２ 、Cs １ F ３ Mo １ O ２ 、H ４ Al １ F ５ O ２ Zn １ 、K １ Na ２ O １５ Si ６ Y １ 、 １ Nb ２ O ７ Ra １ 、 ２ O ７ P ２ Pd １ 、O １４ P ４ Pd ３ TS ２ 、C ４ Cd １ Hg １ N ４ S ４ 、C ４ Cd １ Hg １ N ４ ee ４ 、C ４ Cd １ N ４ S ４ Zn １ 、C ４ Cd １ N ４ ee ４ Zn １ 、C ４ Co １ Cs １ O ４ 、C ４ Hg １ N ４ S ４ Zn １ 、C ４ Hg １ N ４ ee ４ Zn １ 、* １ K ２ Na １ O ６ S ２ 、 １ O ７ Si ２ V １ 、C ４ H ８ I １ K １ O １２ 、C ４ H ８ K １ Lu １ O １２ 、C ８ K １ O ８ Y １ 、Cl ２ K ５ Na １ O １２ S ４ 、Br ４ Cs ２ I ２ Pd １ 、Br ４ I ２ Pd １ Rb ２ 、Cl ４ Cs ２ I ２ Pd １ 、Ba ４ Bi ３ K １ O １ 、Ba ４ K １ O １ Sb ３ 、Ba ４ O １ Rb １ Sb ３ 、As ２ Cs ２ O ８ Th １ 、Ce １ K ２ O ８ P ２ 、Cl ２ Cs ２ N ２ O ６ Pb １ 、As １ K １ Ni １ O ４ 、As １ Na １ Ni １ O ４ 、As ２ Ba １ Ni ２ O ８ 、Ba １ Ni ２ O ８ P ２ 、C ４ H ４ Cd １ O ６ 、Ca ２ Li ６ Mn ２ N ６ 、Br １５ Cs ２ La １ O ３ Ta ６ 、Cl １８ Cs １ Lu １ Nb ６ 、C ８ H ２４ Cl １８ N ２ Nb ６ 、Ce １ O １ P １ Zn １ 、H １２ B １２ Br １ Cs ３ 、H １２ B １２ Br １ K ３ 、H １２ B １２ Br １ Rb ３ 、H １２ B １２ Cl １ Cs ３ 、H １２ B １２ Cl １ Rb ３ 、H １２ B １２ Cs ３ I １ 、H １２ B １２ I １ K ３ 、H １２ B １２ I １ Rb ３ 、As ２ Ba ６ Na ２ O １７ R ２ 、 ５ Br ２ O ９ R ２ 、 ６ Na ２ O １７ R ２ V ２ 、C ４ Fe ２ Na ６ O １６ S １ 、Cs ３ Mo ４ O １６ P ３ 、 Ag ３ Ge ３ P ６ Sn ２ , Ag ３ P ６ S ３ Sn ２ , C ４ Cd １ K ２ N ４ , C ４ Hg １ K ２ N ４ and C ４ K ２ N ４ Zinc １ The method of claim 1 , wherein the at least one of the first and second electrodes is selected from the list consisting of:

4. A method for converting a compound, comprising the steps of: a. Identifying all topological insulators in the ICSD; b. Calculating the real-space invariants of the valence bands of all these topological insulators; and c. Thereby, to identify the Wyckoff positions where irreducible Wannier charge centers (WCCs) are localized in all these topological insulators, and then d. As a potential catalytically active compound, any atom of the topological insulator whose Wyckoff position of the WCC (= Wyckoff position of the hindered WCC, = WP ＯＡＩ ) and or or Ba １ P ８ 、I ４ P ２ 、Mn １ P ４ 、Nb ２ Se ９ 、Os １ P ４ 、P ３ Ru １ 、P ４ Ru １ 、P ５ Re ２ 、Re １ S ２ 、Re １ Se ２ 、S ２ Tc １ 、Lu １ P ５ 、P ５ Y １ 、As １ Ge １ 、As １ Si １ 、Ba １ P ３ 、Bi １ S ２ 、Bi １ Se ２ 、Br ４ Nb １ 、Br ６ Si ２ 、C ２２ F １４ 、C ２ Ca １ 、Ca ５ P ８ 、Cl ３ Mo １ 、Cl ３ Y ２ 、Cl ４ Nb １ 、Cl ４ Ta １ 、Cs ５ Te ３ 、Ga １ Te １ 、Ge １ P １ 、Hg １ O ２ 、In １ Se １ 、K １ Sb ２ 、No １ P ２ 、O ２ Rb ２ ,P ３ Sr １ ,Rb １ Sb ２ 、Ag １ P ２ 、A ２ Co １ 、A ２ I １ 、A ２ Yes １ 、A ２ Rị １ 、Au １ O １ 、B ２ F ４ 、B ４ Mn １ 、Ca １ O ２ ,Cd １ P ４ ,Co １ P ２ ,Cs １ Te ４ ,Cs ２ I ８ 、Cu １ P ２ ,Fe １ P ４ ,Fe １ S １ ,Ga ２ I ３ ,Hg ２ N ６ ,Ir １ N ２ ,Ir １ P ２ ,Ir １ Sb ２ ,No １ P ７ ,No １ S ２ ,No １ Yes ２ 、Li ２ O ２ ,Mg １ P ４ 、N ２ O ４ 、N ２ S ２ 、O ２ Tc １ ,P ２ Rh １ 、P ７ Pb １ 、Rh １ Sb ２ 、Rh １ Si １ 、Sb １ Zn １ 、Ba １ S ２ 、Ba １ Se ２ 、C ２ Ba １ 、C ２ Sr １ 、I ６ Pt ２ 、Ni １ P ２ 、O ２ Si １ 、P ２ Pd １ 、S ２ Yb １ 、S ４ V １ 、Se ３ Tl ２ 、Se ９ V ２ 、Te ３ Tl ２ 、As ３ Ca ４ 、Cs ２ Te ２ 、K ２ O ２ 、Rb ２ Te ２ 、As ２ Fe １ 、As ２ Os １ 、As ２ Ru １ 、C １ N １ 、Fe １ P ２ 、Fe １ S ２ 、Fe １ Sb ２ 、Fe １ Se ２ 、In １ S １ 、N ２ Pt １ 、Os １ P ２ 、Os １ Sb ２ 、P ２ Ru １ 、Ru １ Sb ２ 、Ru １ Te ２ 、Ge ３ Os ２ 、Ge ３ Ru ２ 、Os ２ Si ３ 、Ru ２ Si ３ 、As １ Cd １ 、As １ Zn １ 、B ２ Cl ４ 、C ２ N ２ 、Cd １ Sb １ 、Cl １ O ２ 、P ４ Re １ 、P ４ Tc １ 、Pd １ S ２ 、B ２ Fe １ 、Na １ P ５ 、P ３ Re １ 、P ３ Tc １ 、Ba ５ P ４ 、Ba ５ Sb ４ 、K １ Tl １ 、Ba １ O ２ 、F ３ La １ 、As ６ Cs ４ 、As ６ Rb ４ 、Cs ４ P ６ 、K ４ P ６ 、P ６ Rb ４ 、Al ２ Ru １ 、Ga ２ Os １ 、Ga ２ Ru １ 、C ２ Li ２ 、C ２ Na ２ 、Cs ２ O ２ 、Cs ２ S ２ 、Rb ２ S ２ 、B ３ Si １ 、H ６ Ru １ 、O ６４ Si ３２ 、K ５ Te ３ 、B １０ F １２ 、Li １ Si １ 、C １ N ２ 、Cs １ In ３ 、Ga ３ K １ 、Ga ３ Rb １ 、H ８ Si １ 、C ２ Mg １ 、Fe １ Ga ３ 、Ga ３ Os １ 、Ga ３ Ru １ 、In ３ Ru １ 、Li ２ S ２ 、B ４ Os １ 、Cl ２ Zn １ 、Hg １ I ２ 、Hg ２ I ４ 、Al ２ Os １ 、As １ Ca ２ 、Bi １ Ca ２ 、Br １ Hg １ 、Br ２ Hg ２ 、Cl ２ Hg ２ 、F ２ Hg ２ 、Ga ３ K ２ 、Hg １ I １ 、Hg ２ I ２ 、In ３ Rb ２ 、O ２ Sr １ 、Ba １ Te ２ 、O ２ Zn １ 、S ２ Sr １ 、Au １ Br １ 、Au １ Cl １ 、O ３ U １ 、Br １２ Zr ６ 、Cl １２ Zr ６ 、I １２ Zr ６ 、I ６ Si ２ 、As １ B ６ 、As ２ B １２ 、B １２ P ２ 、B １２ Si ３ 、B ６ O １ 、B ６ P １ 、Br ８ Nb ３ 、C １ B ４ 、C ３ B １２ 、Ga １ S １ 、I ８ Nb ３ 、Cr １ N ２ 、Ga １ Se １ 、Mo １ N ２ 、N ２ W １ 、Ca １ P １ 、Ca ２ P ２ 、K ２ S ２ 、K ２ Se ２ 、Na ２ O ２ 、Na ２ S ２ 、P １ Sr １ 、C ２ Os １ 、Hf １ N ２ 、K ２ Te ２ 、Mo １ S ２ 、Mo １ Se ２ 、Mo １ Te ２ 、Yes １ S １ 、Yes ２ Yes ２ 、S ２ W １ 、Yes ２ W １ 、The ２ W １ 、As ２ Pt １ 、Cd １ Oh ２ 、Cd １ S ２ 、Cd １ Yes ２ ,Fe １ The ２ ,Mg １ Oh ２ ,Mg １ Yes ２ ,Mg １ The ２ 、N ２ Pdf １ 、Os １ S ２ 、Os １ Yes ２ 、Os １ The ２ 、P ２ Pt １ 、Ru １ S ２ 、Ru １ Yes ２ 、S ２ Zinc １ 、Yes ２ Zinc １ 、Ag １ Br １ 、Ag １ Cl １ 、Ag １ I １ 、B ４ Fe １ 、Be ５ Pt １ ,Br １ Cu １ 、Cd １ S １ 、Cd １ Yes １ 、Cd １ The １ 、Cl １ Cu １ 、Cu １ I １ 、Cu ５ Tb １ 、O １ Zn １ 、S １ Sn １ 、S １ Zn １ 、Se １ Zn １ 、Te １ Zn １ 、B ６ Ca １ 、B ６ Si １ 、B ６ Sr １ およびB １ Li １ 、Al ２ Cd ２ Cl ８ 、Al ４ Cl １４ Te ４ 、As １ Fe １ S １ 、Au １ Br ８ Te １ 、B １８ Cs ８ S １８ 、B １８ Rb ８ S １８ 、B １８ Rb ８ Se １８ 、B ８ Br ６ P ４ 、Bi ２ Br ８ Te ４ 、Bi ４ Cl １６ Te １４ 、Bi ６ Cl ２０ Te ４ 、Br １２ Ta ２ Te ４ 、Br １ Mo １ Te ４ 、Br ２ Nb １ S ２ 、Br ２ Nb １ Se ２ 、C ２２ Co ６ O １８ 、C ２ I １０ La ６ 、C ２ O ４ Pb １ 、Cl １２ Ta ２ Te ４ 、Cl １８ P ２ Re ２ 、Cl ２ Nb １ Se ２ 、Cl ５ O ４ Re ２ 、Cl ６ Hf １ Te ４ 、Cl ８ Ga ２ Hg ２ 、Cs １ Sb ２ Se ４ 、Cs ２ S ６ Sn ２ 、Cs ２ S ８ Sb ４ 、Cs ２ Se ６ Sn ２ 、Cs ４ P ２ Se １０ 、Cu ４ P ３ Se ４ 、F １２ I ４ Sb ２ 、F １２ Sb ２ Te ４ 、Ge １ Li １ Te ２ 、Ge ２ Te ６ Tl ６ 、Hg １ O ３ V １ 、Hg ２ P ２ S ６ 、I １２ Nb ２ Te ８ 、I １ That １ The ４ 、In ２ Oh ５ P １ 、K ２ Oh ８ S ２ 、K ２ Sb ４ Yes ８ 、No ６ Oh １８ Re ４ 、Li １ Mo １ S ２ 、Mo ４ N １４ Sr １０ 、Yes ２ Oh ８ S ２ 、Rb ２ Sb ４ Yes ８ 、Yes ２ The ６ Tl ６ 、As ２ Ga ２ Sr １ 、C ２ Ca １ Oh ４ 、Al ２ Yes ７ Sb ５ 、Ba ３ P ６ Yes ４ 、Bi ９ I ３ Rh ２ 、Cl ７ Nb ３ Yes ５ ,Ir ２ Yes ５ Snow １ 、K ４ P ８ The ４ 、Al １ Oh ４ W １ 、As １ Cl ２ Hg ２ 、As ２ F １２ I ４ 、As ３ Ba ２ CD ２ 、As ３ Sr ２ Zn ２ 、Ba ５ Cr １ N ５ 、Bi ４ Br ２ Ru １ 、Br １０ Te ４ Zr ２ 、C １ B ２ O ２ 、C １ N １ Th １ 、C ２ Br ２ Gd ２ 、C ２ La ２ O ２ 、C ４ Cs ２ O ４ 、C ４ Li ２ O ４ 、C ４ O ４ Rb ２ 、Cd １ P １ S ３ 、Cd ２ P ２ S ６ 、Cd ６ Sb １２ Sr １１ 、Cl ２ Hg ２ P １ 、Cl ２ Nb １ S ２ 、Fe １ P １ S ３ 、Fe ２ P ２ S ６ 、Ge １ K ３ S ３ 、Ge ２ K ６ S ６ 、Ge ２ K ６ Se ６ 、Hg ６ O ７ Si ２ 、I ２ O １ Ta １ 、K ６ Si ２ Te ６ 、Mg １ P １ S ３ 、Na ４ P ２ S ６ 、Ni １ P １ S ３ 、Ni １ P １ Se ３ 、Ni ２ P ２ S ６ 、P １ S ３ Zn １ 、P ２ S ６ V ２ 、P ２ S ６ Zn ２ 、P ６ S １８ Zn ４ 、Hg ２ Mo ２ O ７ 、Hg ２ O ４ S １ 、Hg ２ O ４ Se １ 、Hg ４ O ７ P ２ 、K ２ Mo ８ O １６ 、Ag ５ Ge １ O ４ 、As １ Cd ２ Cl ２ 、As １ Fe １ Se １ 、As １ Fe １ Te １ 、As １ Ru １ Te １ 、As ２ Cs ４ Te ６ 、As ２ F １２ Hg ４ 、As ２ Hg ６ O １０ 、As ２ Hg ６ O ８ 、 １ P ３ Pt ２ 、 ２ P ２ S ６ 、 ２ P ２ ee ６ 、 ６ P ６ Se ２ 、Bi １ Os １ ee １ 、Br １４ G ４ Te ４ 、Br ３ Hg ２ Te １ 、C １ D １ K １ O ３ 、C ２ A0 ２ O ４ 、C ２ Cd １ O ４ 、C ２ H ６ O ６ 、C ２ Li ２ O ４ 、C ２ Na ２ O ４ 、C ２ O ４ TS ２ 、C ２ O ４ Zn １ 、C ４ Na ２ O ４ 、 １ Mo ５ O ８ 、 ２ P ２ S ６ 、 ２ P ２ ee ６ 、Cd ２ C- ２ P １ 、* １４ G ４ Te ４ 、* ３ Cu １ K １ 、* ３ Mo １ S ２ 、* ７ O ３ Re ２ 、Co １ K ２ O ２ 、Cs １ O ５ V ２ 、Cs ２ O ８ S ２ 、Cs ２ ee ６ Te ２ 、 １ Lạ ２ S ４ 、Fe １ P １ S １ 、Fe １ P １ ee １ 、Fe １ S １ Sb １ 、Fe １ Sb １ ee １ 、Fe １ Sb １ Te １ 、Ge ２ Na ６ ee ６ 、Ge ２ Na ６ Te ６ 、H ４ B ２ O ４ 、Hg １ O ４ Re １ 、Hg ２ N ２ O ４ 、Hg ４ N ２ O ８ 、Hg ６ O ８ P ２ 、I １ Nb ２ Te ６ 、In ４ P ６ S １８ 、K ４ O ８ P ２ 、K ６ Se ６ Sn ２ 、K ６ Sn ２ Te ６ 、ｭo ５ O ８ Sr １ 、Na ６ Yes ２ Te ６ 、Os １ P １ S １ 、Os １ P １ Se １ 、Os １ S １ Sb １ 、Os １ Sb １ Se １ 、Os １ Sb １ Te １ ,P １ Pb １ Se ３ ,P １ Ru １ S １ ,P １ Ru １ Se １ ,P １ Se ３ Sn １ ,P ２ Pb ２ S ６ ,P ２ Pb ２ Se ６ ,P ２ S ６ Sn ２ ,P ２ S ６ Sr ２ ,P ２ Se ６ Sn ２ ,P ２ Se ６ Sr ２ ,P ２ Se ６ Tl ４ 、Rhu １ S １ Sb １ 、Ru １ Sb １ Se １ 、Ru １ Sb １ Te １ 、 Ag ２ O ２ Pb １ 、As １ F ６ I ５ 、As ３ Br １ Cd ２ 、As ３ Br １ Hg ２ 、As ３ Cd ２ I １ 、As ６ Ba １ Pt ４ 、As ６ Pt ４ Sr １ 、Au １ Cl １ O ２ 、Au １ Cl ４ Cs １ 、Au １ Cl ４ Rb １ 、Au １ Cl ４ Tl １ 、Au １ F ４ Li １ 、Au １ Li １ S １ 、B ２ Li ２ Se ５ 、Bi ３ Cl １ O ４ 、Br １ Cd ２ P ３ 、Br ２ Hg ２ O ６ 、C ２ O ４ Sn １ 、C ４ Ag ２ O ４ 、Cd ２ Cl １ P ３ 、Cd ２ I １ P ３ 、Cd ２ O １２ P ４ 、Cl １ Hg ２ O １ 、Cl １ Hg ２ P ３ 、Cl ２ Hg ４ O ２ 、Cl ４ Os １ Sc ４ 、Cs １ F ７ Sb ２ 、Cs ２ Re ３ Se ６ 、Cs ４ Re ６ S １３ 、Cs ４ Re ６ Se １３ 、Cs ４ S １３ Tc ６ 、Cs ４ Se １３ Tc ６ 、Cs ６ Ge ２ Se ６ 、Cs ６ Ge ２ Te ６ 、Cs ６ Sn ２ Te ６ 、 ２ O ２ Pb １ 、 ２ Re ３ ee ６ 、Fe ２ O １２ P ４ 、Ge ２ K ６ Te ６ 、Hg ２ P ２ ee ６ 、K ２ Re ３ S ６ 、K ２ Re ３ ee ６ 、K ４ Re ６ ee １２ 、K ４ S １２ Tc ６ 、K ４ ee １２ Tc ６ 、 ２ Mo １ P １２ 、N ２ Nb ４ O １１ 、N ２ Re ３ S ６ 、N ２ Re ３ ee ６ 、O ３ Si １ Sr １ 、O ４ Pd １ S １ 、O ４ Pt １ S １ 、O ７ P ２ Pd ２ 、P ６ Pt ４ Sr １ 、 ２ Re ３ S ６ 、 ２ Re ３ ee ６ 、 ４ Re ６ S １２ 、 ４ Re ６ S １３ 、Rb ４ Re ６ Se １２ 、Rb ４ S １３ Tc ６ 、Rb ４ Se １２ Tc ６ 、Re ３ S ６ Tl ２ 、Re ３ Se ６ Tl ２ 、Re ６ Se １２ Tl ４ 、Br １１ Cs １ Nb ４ 、Br １１ Nb ４ Rb １ 、Cl １１ Cs １ Nb ４ 、Cl １１ Nb ４ Rb １ 、Al ２ Ca ５ Sb ６ 、Al ２ Cl ８ Se ４ 、As ６ Ca ５ Ga ２ 、Ba １ Nb ８ O １４ 、Ba ３ O １ Sb ２ 、Ba ５ In ２ Sb ６ 、C ２ K ２ O ４ 、C ２ O ４ Rb ２ 、Ca ５ In ２ Sb ６ 、In ２ Sb ６ Sr ５ 、Nb ８ O １４ Sr １ 、Ag ５ O ４ Yes １ ,Br １ Hg ２ P ３ 、Nﺡ ２ Ni １ O ６ 、O ９ P ２ V ２ 、All ２ Cl ８ Te ４ 、Au １ O ４ S １ 、Cl ２ N ４ S ６ 、Yes １ Yes １ Te １ 、Cu １ O ３ Se １ 、Cu １ P ２ Se １ 、Ge １ Rh １ Te １ 、O ６ P ２ Tl ４ ,Pt １ Sb １ Yes １ 、All １ k １ Sb ４ 、All １ P ３ Yes １ 、As １ L １ Te １ 、As ２ Hg ４ O ７ 、Ba １ P ４ Te ２ 、Cs ２ Yes １ Te ４ 、Cs ２ Sn １ Te ４ 、Ga １ k １ Sb ４ 、H ２ B １ Li １ 、La １ Mn １ S ３ 、 １ P １ S １ 、P １ S １ Y １ 、P ２ R ２ Th １ 、I １ K ４ P ２１ 、I １ P ２１ Ra ４ 、B １２ Li ２ Si ２ 、B ２ Ba １ ee ６ 、In ９ K １ Na ３ 、 ２ O ２ S ２ 、N ４ P ２ ee ６ 、Nb １ P ２ S ８ 、F ６ Pa １ Ra １ 、 １ Na １ S １ 、Cs ２ Ni ３ S ４ 、Cs ２ Ni ３ ee ４ 、Cs ２ Pd ３ ee ４ 、Cs ２ Pt ３ S ４ 、Cs ２ Pt ３ ee ４ 、 ２ O ４ U １ 、N ２ O ４ U １ 、Ni ３ Ra ２ S ４ 、Pt ３ Ra ２ S ４ 、 １ Cs １ F ４ 、 ５ Cs ７ O ２ 、 ５ O ２ Ra ７ 、Br ３ Cs １ Li ２ 、* ２ I ２ Ta １ 、* ３ Cs １ Li ２ 、Hf ２ N ２ S １ 、 ２ Ni １ O ２ 、N ２ O ３ Ti １ 、N ２ O ４ Pd ３ 、O ３ Pd １ Sr ２ 、-- １ B １４ Li １ 、 １ Ce １ O ３ 、C ２ B １３ Li １ 、 １１ K ３ Te １６ 、O ４ P １ ღ １ 、O ４ Si １ Zn ２ 、P ２ S ６ Th １ 、P ２ S ６ Zr １ 、 ９ Br ３４ O １ Pr ６ 、Bi ４ I ２ R １ 、 ４ O １０ Re ２ 、Br ２ Cs １ F １ 、C ２ A0 １ K １ 、C ２ Au １ Cs １ 、C ２ Au １ K １ 、C ２ Au １ Na １ 、C ２ Au １ Ra １ 、C ２ Cu １ Ra １ 、C ２ A0 １ Cs １ 、C ２ Cu １ K １ 、* ３ O １ W １ 、I ３ O １ W １ 、 ６ O ４ Zn １ 、* ６ Hf １ ee ４ 、* ６ ee ４ Zr １ 、Br ２ Cs ２ F ２ 、Cs ２ I ６ Pd １ 、C ４ Ba １ O ４ 、Ag ３ Cu １ S ２ 、 １ Cu ２ O ２ 、 １ O ７ U ２ 、C ４ O ４ Pb １ 、Cd １ I ２ O ４ 、* ２ O １ Pd ２ 、Cu ２ O ２ Sr １ 、Al １ Si １ Te ３ 、B １２ Br １２ Cs ２ 、B １２ Cl １２ Cs ２ 、B １２ Cs ２ I １２ 、Cd ２ P ２ Se ６ 、Cs ８ O １ Tl ８ 、Fe １ P １ Se ３ 、Fe ２ P ２ Se ６ 、Mg ２ P ２ Se ６ 、Nb ６ O １２ Ti ２ 、As ２ Hg ２ O ６ 、Ca １ O ６ Os ２ 、O ６ Ru ２ Sr １ 、C ２ Cs ２ Pd １ 、C ２ Cs ２ PT １ 、C ２ K ２ Pd １ 、C ２ K ２ PT １ 、C ２ Na ２ Pd １ 、C ２ Na ２ PT １ 、C ２ Pd １ Rb ２ 、C ２ PT １ Ra ２ 、H ２ B ２ Ca １ 、Mg ３ Nb ６ O １１ 、O ２ Pr ２ S １ 、O ２ Pr ２ ee １ 、B ９ MM １ N １ 、Cs ４ O １ TS ２ 、F １ Gd １ O １ 、H ８ F ４ N ２ 、Br ９ O ２ Rb ３ 、C ９ Fe ２ O ９ ,Mo １ S １ Yes １ 、 Ag ２ I １０ Tl ６ 、Ba ５ O １０ Ru ２ 、Ca １ Ga ２ P ２ 、Ca １ In ２ P ２ 、Cl ９ Cs ３ Ru ２ 、Cl ９ Cs ３ Ti ２ 、Cs ３ F ９ Fe ２ 、Cs ３ I ９ Zr ２ 、In ２ P ２ Sr １ 、K １ Nb １ S ２ 、K １ Nb １ Se ２ 、Li １ Nb １ O ２ 、Li １ Nb １ S ２ 、Na １ Nb １ O ２ 、Na １ Nb １ S ２ 、Na １ Nb １ Se ２ 、H １２ B １２ Cs ２ 、H １２ B １２ K ２ 、H １２ B １２ Rb ２ 、H １２ B １２ Tl ２ 、H ２０ B １２ N ２ 、As １ Rb ３ Se １６ 、K ３ P １ ee １６ 、H ６ C- ２ N ２ 、F ６ O ２ Pt １ 、Ag １ Cu ４ Tb １ 、.| １ 3 １ 3) １ 、.) １ o １ _ １ 、.) １ fi １ i １ 、.) １ i １ 3 １ 、.) １ i １ ﹹ １ 、|o １ 3) １ () １ 、|| １ 2) １ () １ 、Fe １ b １ 3) １ 、Fe １ 3) １ . １ 、ｧe １ 4 １ () １ 、Hf １ i １ 3) １ 、Hf １ 0) １ 3) １ 、u １ i １ 3) １ 、b １ 2) １ 3) １ 、!) １ 3) １ 3 １ 、!) １ 3) １ ﹹ １ 、!) １ 3) １ () １ 、!) １ 3) １ _ １ 、O ４ 3 １ : １ 、.d １ 3) １ 3 １ 、.t １ 3) １ 3 １ 、.t １ 3) １ Y １ ,Pt １ Sn １ Today １ ,Rh １ Sb １ Th １ 、Ru １ Sb １ Yes １ 、Ru １ Sb １ V １ 、Ag ６ Yes １０ P １２ 、Nb ３ Sb ２ Te ５ ,In ３ O ８ P ２ ,Fe ２ Yes １ Today １ ,H ６ B ６ Cs ２ ,H ６ B ６ K ２ 、Ag ２ Mỏ １ O ４ 、Ag ６ K ２ S ４ 、Al １ Cs １ O ２ 、Al １ K １ O ２ 、Al １ O ２ Rb １ 、Al ２ C$ １ O ４ 、Al ２ C$ １ S ４ 、Al ２ C$ １ Yes ４ 、Al ２ Hg １ S ４ 、Al ２ Hg １ Yes ４ 、Al ２ O ４ Zn １ 、Al ２ S ４ Zn １ 、-- ２ ee ４ Zn １ 、As ４ He ２ O ６ 、 ２ Ge ４ S １０ 、Cd １ G ２ O ４ 、Cd １ I ２ S ４ 、Cd １ I ２ ee ４ 、Cd １ Lu ２ S ４ 、Cd １ Lu ２ ee ４ 、Cd １ O ４ ღ ２ 、Cd １ S ４ c ２ 、Cd １ S ４ Y ２ 、Cd １ c ２ ee ４ 、Cd １ ee ４ Y ２ 、Cd ２ O ４ Si １ 、Cd ２ O ４ Se １ 、* ４ Li ２ Zn １ 、Cs １ N ２ Nb １ 、 ２ O ４ Zn １ 、Hg １ I ２ S ４ 、In ２ O ４ Zn １ 、In ２ S ４ Zn １ 、K ８ Sb ４ Se １ 、Lyu ２ Mậẹ １ S ４ 、Lyu ２ Mậẹ １ Se ４ ,Mg １ O ４ Rh ２ ,Mg １ Se ４ Y ２ 、O ４ Rh ２ Zhn １ 、O ４ Sn １ Zhn ２ 、S ４ Sc ２ Zhn １ 、S ４ Y ２ Zhn １ 、Se ４ Y ２ Zhn １ 、 A0 １ Bi １ P ２ S ６ 、As １ C- ３ F ６ S ３ 、As ２ Cd １ Ge １ K １ 、As ２ Cd １ Ge １ Ra １ 、B １８ Cs ４ Hg ２ ee １８ 、B １８ Hg ２ Ra ４ ee １８ 、B ３ Cu １ Li ３ O ７ 、Br １０ O １ Ta ２ Te ４ 、C １０ H １８ Cu ２ N ２ O １０ 、C １０ H １８ N ２ O １０ ღ ２ 、C １ F ３ Hg １ O ３ S １ 、C １ H ５ Eu １ O ７ P １ 、C １ H ５ Nd １ O ７ P １ 、C １ H ５ O ７ P １ Pr １ 、C ２ H １０ G ２ Ge ４ N ２ O １２ 、C ２ H ２６ B １２ N ８ 、C ２ H ６ Ca １ O ７ 、C ２ H ６ K ２ O １３ S １ U １ 、C ２ H ６ O １２ U ２ 、C ２ H ８ Br ３ Cu １ N １ O １ 、C ２ H ８ I ２ O １４ ee ２ 、C ３ H ７ F １ N １ O ５ Se １ 、C ４ H １１ N １ O １０ 、C ４ H １２ Ba ２ N ２ O １０ S ２ 、C ４ H １２ Fe １ O ６ S ４ 、C ４ H １２ N ６ O １４ ee ２ U ２ 、C ４ H １４ F ３ N １ O ２ V １ 、C ４ H １６ C- ６ Cu ２ N ２ 、C ４ H ７ Cs １ O １０ 、C ４ H ７ K １ O １０ 、C ５ H １０ N １ O ６ 、C ６ F ６ Na ４ O １２ Se ４ 、C ６ H １２ Fe １ N ８ O ８ 、C ６ H ４ Na ４ Np ２ O １８ 、C ８ H ２０ N ６ O １８ S ２ U ２ 、C ８ H ２８ F ６ N ２ O ４ V ２ 、C ８ H ４ K ６ N ８ O ６ Os ２ S ２ 、C ８ I ２ Mo ２ O ８ 、* １０ Mo ２ N ４ S ４ 、* １０ Nb ２ O １ Te ４ 、* ２ N ４ O １２ S １０ 、Cs ２ P ２ ee ６ Zn １ 、 １ O ９ ee ３ Sr ２ 、 ２ Na ２ O １１ Si ４ 、F ２ N ２ O ４ Xe １ 、F ２ O ７ Te ２ V ２ 、H １０ F ８ I ２ N ２ O ２ 、H １２ I ８ MM １ O ６ 、H １２ MM １ O １２ S ２ 、H １２ O １２ S ２ Zn １ 、H １４ Hg ２ O １４ Te ２ 、H １４ N ４ O ８ S ２ 、H １６ B １２ Na ２ O １４ S ６ 、H １８ O １２ ee ４ Se １ Sr ２ 、H ２４ Li ２ N ８ Te ２ 、H ２６ B ２０ K ４ O ４ 、H ３２ N １４ ee ６ Se ２ 、H ３４ C- ４ Cr ２ N ８ O ６ 、H ４ Cu ２ Na ２ O １３ Si ４ 、H ６ B ２ F ８ N ２ 、H ６ Cs ２ O １２ P ４ 、H ６ F ２２ N ２ Sb ４ 、H ６ O １２ P ４ Ra ２ 、H ８ Na ６ O １４ P ４ 、K ４ Mn １ Mo ３ O １２ 、K ４ N ２ O １４ S ４ 、Lu １ Na １ P ２ S ６ 、N １ P ２ S ６ Tb １ 、N １ P ２ S ６ Y １ 、P ２ Ra ２ ee ６ Zn １ 、C ４ H ３ Cs １ O １４ U ２ 、C ４ H ５ K １ O １５ U ２ 、C ４ H ５ O １５ Ra １ U ２ 、Cs ２ Cu ２ O １９ Si ８ 、 ２ Ge ４ O １３ c ２ 、K ３ P ５ R １ ｳe １０ 、｡g ２ Br ６ gg ７ P ８ 、｡g ２ gg ７ 9 ６ P ８ 、｡u ２ K ２ P ２ ｳe ６ 、｡u ２ La ４ 9 ２ P ４ 、｡u ２ P ２ ｳe ６ 4l ２ 、C ２ 3l ２ 9 ４ Pb ２ 、C ２ 8 ２ Ag １ 9 ９ ﳳ １ Tb １ 、C ２ 8 ４ Ca ２ 3l ２ 9 ６ 、C ２ 8 ６ 8. ２ b ２ 、C ４ 8 ６ B １２ Cs ２ 9 １２ 8. ２ 、C ４ 8 ８ 8. ２ 9 ４ 、 ̈ ２０ B １２ Li ２ 9 ４ 、9n １ K ２ P ２ ﳳ ７ 、La ２ P ４ ﳳ １４ 4l ４ 、C ８ 8 １２ Ag ２ 8. ４ 9 ４ 、｡g １ As １ K １ S ２ 、Ag １ Cu １ O ４ P １ 、Ag ２ Cs ２ P ２ Yes ６ 、Ag ２ O ８ P ２ V １ 、Ag ２ P ２ Yes ６ Tl ２ 、Al １ Yes １ Cu １ O ５ 、Al １ Cu １ O ８ P ２ Rb １ 、Al ２ Br ６ N ２ S ２ 、Al ２ Br ６ N ２ Yes ２ 、A １ F ６ N ２ S ３ ,Ba １ Yes １ Sb ２ Yes ６ ,Ba １ Mỏ ２ O １６ P ４ 、C １０ F ４ Mn ２ O ８ 、C １ ２ Bi ２ O １２ R ４ 、C １ O ６ P １ Se ２ 、C ２ As ２ F １２ N ２ Te ４ 、C ２ C- １０ N ２ Sb ２ 、C ２ Cu １ O ６ TS ２ 、C ２ F ６ N ４ O ６ S ４ ee ４ 、C ２ F ６ N ４ O ６ S ８ 、C ２ H １ Cs １ O ４ 、C ２ H ２ Na ２ O ６ 、C ２ H ４ Cs ２ O ６ 、C ２ H ４ F ６ O ６ S ２ Si ２ 、C ２ H ４ Fe ４ O １４ P ２ 、C ２ H ４ O １４ P ２ Zn ４ 、C ２ H ６ K ２ N ２ 、C ２ H ６ K ４ N ８ O １０ 、C ３ H ２ Na １ O ７ Zn １ 、C ３ H ３ Ba １ O ７ 、C ４ H １２ C- ８ Nb ２ S ２ 、C ４ H １８ B ２ P ２ 、C ４ H ２ Fe ２ O ６ 、C ４ H ２ O ８ TS ２ 、C ６ H １０ O ６ Se １ 、C ６ H ４ MM ２ Na ２ O １４ 、C ６ O １６ Ra ２ U ２ 、Cd １ Mo １ O ６ P １ 、Cd １ P ２ Ra ２ ee ６ 、* １２ Mo ２ O ４ P ２ 、Cs ２ O １２ P ２ U ２ 、Cs ４ O ２ S １０ V ２ 、 １ P １ ee ３ TS １ 、 ２ P ２ S ６ TS ２ 、 ２ P ２ Yes ６ Tl ２ 、 F ２ N ４ O ６ S ８ 、Fe １ I １ N ２ O ２ 、Fe １ K ２ P ２ S ６ 、Fe １ K ２ P ２ Se ６ 、Fe ２ K １ O ８ P ２ 、H １０ Br ２ N ２ O ２ 、H １０ N ２ O ８ P ２ 、H １２ N ４ O ４ P ２ 、H １２ O ６ P ２ Rb ４ S ６ 、H １４ Ni １ O １２ P ２ 、H ２ Hg ６ N ４ O １４ 、H ２ O ６ P ２ Tl ２ 、H ３ K １ O ６ P ２ 、H ５ O ７ P １ V １ 、H ６ Cs ２ N ２ P ４ 、H ８ K ４ O ４ P ２ S ６ 、H ８ Li ４ O １２ P ２ 、Hg １ K ２ P ２ ee ６ 、K ２ MM １ P ２ ee ６ 、K ２ P ２ ee ６ Zn １ 、 ２ O ８ P ２ V １ 、 ２ O １６ P ４ Sr １ 、N ２ O ８ P ２ V １ 、Ni １ O １０ P ２ V ２ 、Ag ３ P ４ S １２ TS ５ 、 １ I ２ O １４ P ４ 、 １ Lạ ２ O １４ Te ５ 、 １ O ８ P ２ Th １ 、 ２ Gd ２ O １３ Si ４ 、Bi ２ C- ８ Hg ３ Te ２ 、C １ A0 ２ C- １ N １ O ４ S １ 、C ２ A0 １ N ２ Na １ 、C ２ F ６ Na ２ O ４ Sb ２ 、C ２ H ２ Cs ２ O ５ 、C ２ H ２ K ２ O ５ 、C ２ H ２ K ２ O ６ 、C ２ H ２ O ５ Ra ２ 、C ２ H ４ B ２ O ２ 、C ２ H ６ Fe １ N ２ O ４ 、C ２ H ８ C- ３ Cu １ N １ 、C ２ H ８ I ２ N ４ S ２ 、C ２ N ２ O ６ S ２ 、C ４ H １２ MM １ O ６ S ４ 、C ４ H １６ F ４ Mn １ N １ O ２ 、C ４ H ４ O １０ Th １ 、C ４ H ６ Ba １ O １０ 、C ４ H ６ Cd １ O ２ S ４ 、C ４ H ６ Na ２ O ７ 、C ４ H ６ O ７ Sr １ 、C ４ H ８ Cd １ Cl ２ N ２ 、C ４ H ８ O １２ Th １ 、C ４ H ８ O ８ Zn １ 、C ６ H ６ A0 ３ Co １ N ８ 、Cd ３ Na ２ O １０ Si ３ 、* ３ Na ２ O １２ Te ４ Y ３ 、 １ Mo ２ O ８ Sb １ 、Eu １ O ８ Ra １ S ２ 、F ９ K ５ O ４ U ２ 、H １４ Na ３ Np １ O １２ 、H ２ F ４ K １ Mn １ O １ 、H ２ F ４ Mn １ O １ Ra １ 、H ４ Ca ２ O １３ P ３ V １ 、H ４ F ４ O ２ Ra １ V １ 、H ８ Ni １ O １０ V ２ 、Hg １ I １ S ３ TS １ 、Hg １ O ７ P ２ Pd １ 、K ２ Ra ２ Re ６ S １３ 、K ４ Mo ８ O ５２ P １２ 、O １４ Sr ３ Te ４ U １ 、As ２ C- ３ Hg ３ TS １ 、Br ３ Hg ３ Sb ２ TS １ 、H ８ Cs ４ O ４ P ２ ee ６ 、H ８ O ４ P ２ Ra ４ ee ６ 、 ２ O ８ S ２ Ta ３ 、* １ N ２ S １ ee ２ 、Cr ２ Li ４ N ６ Sr ２ 、H ６ F ６ N ２ Si １ 、H ６ F １ N １ O ２ 、H ６ F ５ N ２ Sb １ 、As ６ Ba ４ Cd ３ Li ２ 、 ４ Cd ３ Li ２ P ６ 、C ４ H １２ C- ８ Nb ２ ee ２ 、H ８ K ４ O ４ P ２ ee ６ 、 １ O ７ Sr １ Ta ２ 、Br ９ Cs ５ Nb ２ S ４ 、Br ９ Nb ２ S ４ TS ５ 、* ８ Cs ５ I １ S ４ U ２ 、* ９ Cs ５ Nb ２ S ４ 、* ９ Nb ２ S ４ TS ５ 、F １ K １ Nb ２ O ６ Sr １ 、H １ Lạ ２ Li １ O ３ 、 １ O １１ Sr ２ Ta ３ 、C ４ N ４ Pt １ Ra ２ 、Cs １ F ３ Mo １ O ２ 、H ４ Al １ F ５ O ２ Zn １ 、K １ Na ２ O １５ Si ６ Y １ 、 １ Nb ２ O ７ Ra １ 、 ２ O ７ P ２ Pd １ 、O １４ P ４ Pd ３ TS ２ 、C ４ Cd １ Hg １ N ４ S ４ 、C ４ Cd １ Hg １ N ４ ee ４ 、C ４ Cd １ N ４ S ４ Zn １ 、C ４ Cd １ N ４ ee ４ Zn １ 、C ４ Co １ Cs １ O ４ 、C ４ Hg １ N ４ S ４ Zn １ 、C ４ Hg １ N ４ ee ４ Zn １ 、* １ K ２ Na １ O ６ S ２ 、 １ O ７ Si ２ V １ 、C ４ H ８ I １ K １ O １２ 、C ４ H ８ K １ Lu １ O １２ 、C ８ K １ O ８ Y １ 、Cl ２ K ５ Na １ O １２ S ４ 、Br ４ Cs ２ I ２ Pd １ 、Br ４ I ２ Pd １ Rb ２ 、Cl ４ Cs ２ I ２ Pd １ 、Ba ４ Bi ３ K １ O １ 、Ba ４ K １ O １ Sb ３ 、Ba ４ O １ Rb １ Sb ３ 、As ２ Cs ２ O ８ Th １ 、Ce １ K ２ O ８ P ２ 、Cl ２ Cs ２ N ２ O ６ Pb １ 、As １ K １ Ni １ O ４ 、As １ Na １ Ni １ O ４ 、As ２ Ba １ Ni ２ O ８ 、Ba １ Ni ２ O ８ P ２ 、C ４ H ４ Cd １ O ６ 、Ca ２ Li ６ Mn ２ N ６ 、Br １５ Cs ２ La １ O ３ Ta ６ 、Cl １８ Cs １ Lu １ Nb ６ 、C ８ H ２４ Cl １８ N ２ Nb ６ 、Ce １ O １ P １ Zn １ 、H １２ B １２ Br １ Cs ３ 、H １２ B １２ Br １ K ３ 、H １２ B １２ Br １ Rb ３ 、H １２ B １２ Cl １ Cs ３ 、H １２ B １２ Cl １ Rb ３ 、 H １２ B １２ Cs ３ I １ ,H １２ B １２ I １ K ３ ,H １２ B １２ I １ Rb ３ 、A ２ Bar ６ Yes ２ Oh １７ Water ２ ,Ba ５ Br ２ Oh ９ Water ２ ,Ba ６ Yes ２ Oh １７ Water ２ V ２ 、C ４ Fe ２ Yes ６ Oh １６ S １ ,Cs ３ Mo ４ Oh １６ P ３ ,Ag ３ Yes ３ P ６ Sn ２ , Ag ３ P ６ S ３ Sn ２ , C ４ Cd １ K ２ N ４ , C ４ Hg １ K ２ N ４ and C ４ K ２ N ４ Zinc １ and wherein the compound is selected from the list consisting of: ＯＡＩ ) but crossing the selected Wyckoff positions (one or more) of the atoms of the topological insulator (=occupied Wyckoff positions (one or more), =WP ＯＣＣ ), the orientation of the normal vector (h, k, l) of the surface plane f(x, y, z) = 0 away from the [0030] and the interfering WCC is [0045] and the atoms of the selected potential catalytically active compound are localized in WP ＯＣＣ = {x ｉ , y ｉ , z ｉ |i∈occupiedposition}.

5. 5. The method of claim 1, wherein the topological insulator compound is characterized by an indirect band gap in the bulk of 0.001 to 7.000 eV.

6. 6. The method of any one of claims 1 to 5, wherein the metallic surface states are located within the range of 0.3 to 0.7 eV above or below the Fermi level, preferably within the range of 0.4 to 0.6 eV above or below the Fermi level, most preferably about 0.5 eV above or below the Fermi level.

7. A catalyst in the form of a crystalline topological insulator, comprising: Here, the Wyckoff sites of the Wannier charge centers (WCCs) are not occupied by atoms of a topological insulator, at least one metal surface state is exposed with a predetermined crystallographic orientation (characterized by its Miller indices (h, k, l)); The given crystallographic orientation is the orientation of the normal vector (h, k, l) of the surface plane f(x, y, z) = 0 that intersects the Wyckoff position (= WP OAI ) of the disturbing WCC but is away from the Wyckoff position (s) of the selected topological insulator atoms (= occupied Wyckoff position (s) = WP OCC ), and this condition is [0050] and The interfering WCC [006] and the selected potential catalytically active compound atom occupies WP OCC = {x i , y i , z i |i∈occupied position}; and The topological insulator is the following compound: Ba １ P ８ 、I ４ P ２ 、Mn １ P ４ 、Nb ２ Se ９ 、Os １ P ４ 、P ３ Ru １ 、P ４ Ru １ 、P ５ Re ２ 、Re １ S ２ 、Re １ Se ２ 、S ２ Tc １ 、Lu １ P ５ 、P ５ Y １ 、As １ Ge １ 、As １ Si １ 、Ba １ P ３ 、Bi １ S ２ 、Bi １ Se ２ 、Br ４ Nb １ 、Br ６ Si ２ 、C ２２ F １４ 、C ２ Ca １ 、Ca ５ P ８ 、Cl ３ Mo １ 、Cl ３ Y ２ 、Cl ４ Nb １ 、Cl ４ Ta １ 、Cs ５ Te ３ 、Ga １ Te １ 、Ge １ P １ 、Hg １ O ２ 、In １ Se １ 、K １ Sb ２ 、No １ P ２ 、O ２ Rb ２ ,P ３ Sr １ ,Rb １ Sb ２ 、Ag １ P ２ 、A ２ Co １ 、A ２ I １ 、A ２ Yes １ 、A ２ Rị １ 、Au １ O １ 、B ２ F ４ 、B ４ Mn １ 、Ca １ O ２ ,Cd １ P ４ ,Co １ P ２ ,Cs １ Te ４ ,Cs ２ I ８ 、Cu １ P ２ ,Fe １ P ４ ,Fe １ S １ ,Ga ２ I ３ ,Hg ２ N ６ ,Ir １ N ２ ,Ir １ P ２ ,Ir １ Sb ２ ,No １ P ７ ,No １ S ２ ,No １ Yes ２ 、Li ２ O ２ ,Mg １ P ４ 、N ２ O ４ 、N ２ S ２ 、O ２ Tc １ ,P ２ Rh １ 、P ７ Pb １ 、Rh １ Sb ２ 、Rh １ Si １ 、Sb １ Zn １ 、Ba １ S ２ 、Ba １ Se ２ 、C ２ Ba １ 、C ２ Sr １ 、I ６ Pt ２ 、Ni １ P ２ 、O ２ Si １ 、P ２ Pd １ 、S ２ Yb １ 、S ４ V １ 、Se ３ Tl ２ 、Se ９ V ２ 、Te ３ Tl ２ 、As ３ Ca ４ 、Cs ２ Te ２ 、K ２ O ２ 、Rb ２ Te ２ 、As ２ Fe １ 、As ２ Os １ 、As ２ Ru １ 、C １ N １ 、Fe １ P ２ 、Fe １ S ２ 、Fe １ Sb ２ 、Fe １ Se ２ 、In １ S １ 、N ２ Pt １ 、Os １ P ２ 、Os １ Sb ２ 、P ２ Ru １ 、Ru １ Sb ２ 、Ru １ Te ２ 、Ge ３ Os ２ 、Ge ３ Ru ２ 、Os ２ Si ３ 、Ru ２ Si ３ 、As １ Cd １ 、As １ Zn １ 、B ２ Cl ４ 、C ２ N ２ 、Cd １ Sb １ 、Cl １ O ２ 、P ４ Re １ 、P ４ Tc １ 、Pd １ S ２ 、B ２ Fe １ 、Na １ P ５ 、P ３ Re １ 、P ３ Tc １ 、Ba ５ P ４ 、Ba ５ Sb ４ 、K １ Tl １ 、Ba １ O ２ 、F ３ La １ 、As ６ Cs ４ 、As ６ Rb ４ 、Cs ４ P ６ 、K ４ P ６ 、P ６ Rb ４ 、Al ２ Ru １ 、Ga ２ Os １ 、Ga ２ Ru １ 、C ２ Li ２ 、C ２ Na ２ 、Cs ２ O ２ 、Cs ２ S ２ 、Rb ２ S ２ 、B ３ Si １ 、H ６ Ru １ 、O ６４ Si ３２ 、K ５ Te ３ 、B １０ F １２ 、Li １ Si １ 、C １ N ２ 、Cs １ In ３ 、Ga ３ K １ 、Ga ３ Rb １ 、H ８ Si １ 、C ２ Mg １ 、Fe １ Ga ３ 、Ga ３ Os １ 、Ga ３ Ru １ 、In ３ Ru １ 、Li ２ S ２ 、B ４ Os １ 、Cl ２ Zn １ 、Hg １ I ２ 、Hg ２ I ４ 、Al ２ Os １ 、As １ Ca ２ 、Bi １ Ca ２ 、Br １ Hg １ 、Br ２ Hg ２ 、Cl ２ Hg ２ 、F ２ Hg ２ 、Ga ３ K ２ 、Hg １ I １ 、Hg ２ I ２ 、In ３ Rb ２ 、O ２ Sr １ 、Ba １ Te ２ 、O ２ Zn １ 、S ２ Sr １ 、Au １ Br １ 、Au １ Cl １ 、O ３ U １ 、Br １２ Zr ６ 、Cl １２ Zr ６ 、I １２ Zr ６ 、I ６ Si ２ 、As １ B ６ 、As ２ B １２ 、B １２ P ２ 、B １２ Si ３ 、B ６ O １ 、B ６ P １ 、Br ８ Nb ３ 、C １ B ４ 、C ３ B １２ 、Ga １ S １ 、I ８ Nb ３ 、Cr １ N ２ 、Ga １ Se １ 、Mo １ N ２ 、N ２ W １ 、Ca １ P １ 、Ca ２ P ２ 、K ２ S ２ 、K ２ Yes ２ 、Yes ２ Oh ２ 、Yes ２ S ２ 、P １ Sr １ 、C ２ Us １ 、Hf １ N ２ 、K ２ The ２ 、Mo １ S ２ 、Mo １ Yes ２ 、Mo １ The ２ 、Yes １ S １ 、Yes ２ Yes ２ 、S ２ W １ 、Yes ２ W １ 、The ２ W １ 、As ２ Pt １ 、Cd １ Oh ２ 、Cd １ S ２ 、Cd １ Yes ２ ,Fe １ The ２ ,Mg １ Oh ２ ,Mg １ Yes ２ ,Mg １ The ２ 、N ２ Pdf １ 、Os １ S ２ 、Os １ Yes ２ 、Os １ The ２ 、P ２ Pt １ 、Ru １ S ２ 、Ru １ Yes ２ 、S ２ Zinc １ 、Yes ２ Zinc １ 、Ag １ Br １ 、｡g １ 3l １ 、｡g １ 9 １ 、 ４ ｦe １ 、Be ５ Pt １ 、Br １ Cu １ 、Cd １ ﳳ １ 、Cd １ ｳe １ 、Cd １ Te １ 、Cl １ Cu １ 、Cu １ 9 １ 、Cu ５ Tb １ 、9 １ b. １ 、′′ １ 3. １ 、′′ １ b. １ 、ｳe １ b. １ 、4e １ b. １ 、 ６ Ca １ 、 ６ ｳi １ 、 ６ 3r １ および １ Li １ 、｡l ２ Cd ２ 3l ８ 、｡l ４ 3l １４ Te ４ 、As １ ｦe １ ﳳ １ 、｡u １ Br ８ Te １ 、 １８ Cs ８ ﳳ １８ 、 １８ b ８ ﳳ １８ 、 １８ b ８ ｳe １８ 、 ８ Br ６ P ４ 、 i ２ Br ８ Te ４ 、Bi ４ Cl １６ Te １４ 、Bi ６ Cl ２０ Te ４ 、Br １２ Ta ２ Te ４ 、Br １ Mo １ Te ４ 、Br ２ Nb １ S ２ 、Br ２ Nb １ Se ２ 、C ２２ Co ６ O １８ 、C ２ I １０ La ６ 、C ２ O ４ Pb １ 、Cl １２ Ta ２ Te ４ 、Cl １８ P ２ Re ２ 、Cl ２ Nb １ Se ２ 、Cl ５ O ４ Re ２ 、Cl ６ Hf １ Te ４ 、Cl ８ Ga ２ Hg ２ 、Cs １ Sb ２ Se ４ 、Cs ２ S ６ Sn ２ 、Cs ２ S ８ Sb ４ 、Cs ２ Se ６ Sn ２ 、Cs ４ P ２ Se １０ 、Cu ４ P ３ Se ４ 、F １２ I ４ Sb ２ 、F １２ Sb ２ The ４ 、Ge １ Li １ The ２ 、Yes ２ The ６ Tl ６ 、Hg １ Oh ３ V １ 、Hg ２ P ２ S ６ 、I １２ Nb ２ The ８ 、I １ That １ The ４ 、In ２ Oh ５ P １ 、K ２ Oh ８ S ２ 、K ２ Sb ４ Yes ８ 、No ６ Oh １８ Re ４ 、Li １ Mo １ S ２ 、Mo ４ N １４ Sr １０ 、Yes ２ Oh ８ S ２ 、Rb ２ Sb ４ Yes ８ 、Yes ２ The ６ Tl ６ 、As ２ Ga ２ Sr １ 、C ２ Ca １ Oh ４ 、Al ２ Yes ７ Sb ５ 、Ba ３ P ６ Yes ４ 、Bi ９ I ３ Rh ２ 、Cl ７ Nb ３ Se ５ 、Ir ２ Se ５ Sn １ 、K ４ P ８ Te ４ 、Al １ O ４ W １ 、As １ Cl ２ Hg ２ 、As ２ F １２ I ４ 、As ３ Ba ２ Cd ２ 、As ３ Sr ２ Zn ２ 、Ba ５ Cr １ N ５ 、Bi ４ Br ２ Ru １ 、Br １０ Te ４ Zr ２ 、C １ B ２ O ２ 、C １ N １ Th １ 、C ２ Br ２ Gd ２ 、C ２ La ２ O ２ 、C ４ Cs ２ O ４ 、C ４ Li ２ O ４ 、C ４ O ４ Rb ２ 、Cd １ P １ S ３ 、Cd ２ P ２ S ６ 、Cd ６ Sb １２ Sr １１ 、Cl ２ Hg ２ P １ 、Cl ２ Nb １ S ２ 、Fe １ P １ S ３ 、Fe ２ P ２ S ６ 、Ge １ K ３ S ３ 、Ge ２ K ６ S ６ 、Ge ２ K ６ ee ６ 、Hg ６ O ７ Si ２ 、I ２ O １ Ta １ 、K ６ Si ２ Te ６ 、Mg １ P １ S ３ 、N ４ P ２ S ６ 、Ni １ P １ S ３ 、Ni １ P １ ee ３ 、Ni ２ P ２ S ６ 、P １ S ３ Zn １ 、P ２ S ６ V ２ 、P ２ S ６ Zn ２ 、P ６ S １８ Zn ４ 、Hg ２ Mo ２ O ７ 、Hg ２ O ４ S １ 、Hg ２ O ４ ee １ 、Hg ４ O ７ P ２ 、K ２ Mo ８ O １６ 、Ag ５ Ge １ O ４ 、As １ Cd ２ Cl ２ 、As １ Fe １ Se １ 、As １ Fe １ Te １ 、As １ Ru １ Te １ 、As ２ Cs ４ Te ６ 、As ２ F １２ Hg ４ 、As ２ Hg ６ O １０ 、As ２ Hg ６ O ８ 、Ba １ P ３ Pt ２ 、Ba ２ P ２ S ６ 、Ba ２ P ２ Se ６ 、Ba ６ P ６ Sn ２ 、Bi １ Os １ Se １ 、Br １４ Ga ４ Te ４ 、Br ３ Hg ２ Te １ 、C １ D １ K １ O ３ 、C ２ Ag ２ O ４ 、C ２ Cd １ O ４ 、C ２ H ６ O ６ 、C ２ Li ２ O ４ 、C ２ Na ２ O ４ 、C ２ O ４ TS ２ 、C ２ O ４ Zn １ 、C ４ Na ２ O ４ 、 １ Mo ５ O ８ 、 ２ P ２ S ６ 、 ２ P ２ ee ６ 、Cd ２ C- ２ P １ 、* １４ G ４ Te ４ 、* ３ Cu １ K １ 、* ３ Mo １ S ２ 、* ７ O ３ Re ２ 、Co １ K ２ O ２ 、Cs １ O ５ V ２ 、Cs ２ O ８ S ２ 、Cs ２ ee ６ Te ２ 、 １ Lạ ２ S ４ 、Fe １ P １ S １ 、Fe １ P １ ee １ 、Fe １ S １ Sb １ 、Fe １ Sb １ ee １ 、Fe １ Sb １ Te １ 、Ge ２ Na ６ ee ６ 、Ge ２ Na ６ Te ６ 、H ４ B ２ O ４ 、Hg １ O ４ Re １ 、Hg ２ N ２ O ４ 、Hg ４ N ２ O ８ 、Hg ６ O ８ P ２ 、I １ N﹂ ２ Te ６ 、In ４ P ６ S １８ 、K ４ O ８ P ２ 、K ６ Se ６ Sn ２ 、K ６ Sn ２ Te ６ 、Mo ５ O ８ Sr １ 、No ６ Yes ２ Te ６ 、Os １ P １ S １ 、Os １ P １ Se １ 、Os １ S １ Sb １ 、Os １ Sb １ Se １ 、Os １ Sb １ Te １ ,P １ Pb １ Se ３ ,P １ Ru １ S １ ,P １ Ru １ Se １ ,P １ Se ３ Sn １ ,P ２ Pb ２ S ６ ,P ２ Pb ２ Se ６ 、P ２ S ６ Sn ２ 、P ２ S ６ Sr ２ 、P ２ Se ６ Sn ２ 、P ２ Se ６ Sr ２ 、P ２ Se ６ Tl ４ 、Ru １ S １ Sb １ 、Ru １ Sb １ Se １ 、Ru １ Sb １ Te １ 、Ag ２ O ２ Pb １ 、As １ F ６ I ５ 、As ３ Br １ Cd ２ 、As ３ Br １ Hg ２ 、As ３ Cd ２ I １ 、As ６ Ba １ Pt ４ 、As ６ Pt ４ Sr １ 、Au １ Cl １ O ２ 、Au １ Cl ４ Cs １ 、Au １ Cl ４ Rb １ 、Au １ Cl ４ Tl １ 、Au １ F ４ Li １ 、Au １ Li １ S １ 、B ２ Li ２ Se ５ 、Bi ３ Cl １ O ４ 、Br １ Cd ２ P ３ 、Br ２ Hg ２ O ６ 、C ２ O ４ Sn １ 、C ４ Ag ２ O ４ 、Cd ２ Cl １ P ３ 、Cd ２ I １ P ３ 、Cd ２ O １２ P ４ 、Cl １ Hg ２ O １ 、Cl １ Hg ２ P ３ 、Cl ２ Hg ４ O ２ 、Cl ４ Os １ Sc ４ 、Cs １ F ７ Sb ２ 、Cs ２ Re ３ Se ６ 、Cs ４ Re ６ S １３ 、Cs ４ Re ６ Se １３ 、Cs ４ S １３ Tc ６ 、Cs ４ Se １３ Tc ６ 、Cs ６ Ge ２ Se ６ 、Cs ６ Ge ２ Te ６ 、Cs ６ Sn ２ Te ６ 、 ２ O ２ Pb １ 、 ２ Re ３ ee ６ 、Fe ２ O １２ P ４ 、Ge ２ K ６ Te ６ 、Hg ２ P ２ ee ６ 、K ２ Re ３ S ６ 、K ２ Re ３ ee ６ 、K ４ Re ６ ee １２ 、 K ４ S １２ Tc ６ 、K ４ ee １２ Tc ６ 、 ２ Mo １ P １２ 、N ２ Nb ４ O １１ 、N ２ Re ３ S ６ 、N ２ Re ３ ee ６ 、O ３ Si １ Sr １ 、O ４ Pd １ S １ 、O ４ Pt １ S １ 、O ７ P ２ Pd ２ 、P ６ Pt ４ Sr １ 、Rb ２ Re ３ S ６ 、Rb ２ Re ３ Se ６ 、Rb ４ Re ６ S １２ 、Rb ４ Re ６ S １３ 、Rb ４ Re ６ Se １２ 、Rb ４ S １３ Tc ６ 、Rb ４ Se １２ Tc ６ 、Re ３ S ６ Tl ２ 、Re ３ Se ６ Tl ２ 、Re ６ Se １２ Tl ４ 、Br １１ Cs １ Nb ４ 、Br １１ Nb ４ Rb １ 、Cl １１ Cs １ Nb ４ 、Cl １１ Nb ４ Rb １ 、Al ２ Ca ５ Sb ６ 、Al ２ Cl ８ Se ４ 、As ６ Ca ５ Ga ２ 、Ba １ Nb ８ O １４ 、Ba ３ O １ Sb ２ 、Ba ５ In ２ Sb ６ 、C ２ k ２ O ４ 、C ２ O ４ Rb ２ 、Ca ５ I ２ Sb ６ 、In ２ Sb ６ Sr ５ 、Nb ８ O １４ Sr １ 、Ag ５ O ４ Yes １ ,Br １ Hg ２ P ３ 、Nb ２ Ni １ O ６ 、O ９ P ２ V ２ 、All ２ Cl ８ Te ４ 、Au １ O ４ S １ 、Cl ２ N ４ S ６ 、Yes １ Yes １ Te １ 、Cu １ O ３ Se １ 、Cu １ P ２ Se １ 、Ge １ Rh １ Te １ 、O ６ P ２ Tl ４ ,Pt １ Sb １ Yes １ 、All １ k １ Sb ４ 、All １ P ３ Yes １ 、As １ L １ Te １ 、As ２ Hg ４ O ７ 、 １ P ４ Te ２ 、Cs ２ Ge １ Te ４ 、Cs ２ Se １ Te ４ 、 １ K １ Sb ４ 、H ２ B １ Li １ 、 １ Mn １ S ３ 、 １ P １ S １ 、P １ S １ Y １ 、P ２ R ２ Th １ 、I １ K ４ P ２１ 、I １ P ２１ Ra ４ 、B １２ Li ２ Si ２ 、B ２ Ba １ ee ６ 、In ９ K １ Na ３ 、 ２ O ２ S ２ 、N ４ P ２ ee ６ 、Nb １ P ２ S ８ 、F ６ Pa １ Ra １ 、 １ Na １ S １ 、Cs ２ Ni ３ S ４ 、Cs ２ Ni ３ ee ４ 、Cs ２ Pd ３ ee ４ 、Cs ２ Pt ３ S ４ 、Cs ２ Pt ３ ee ４ 、 ２ O ４ U １ 、N ２ O ４ U １ 、Ni ３ Ra ２ S ４ 、Pt ３ Ra ２ S ４ 、 １ Cs １ F ４ 、 ５ Cs ７ O ２ 、 ５ O ２ Ra ７ 、Br ３ Cs １ Li ２ 、* ２ I ２ Ta １ 、* ３ Cs １ Li ２ 、Hf ２ N ２ S １ 、 ２ Ni １ O ２ 、N ２ O ３ Ti １ 、N ２ O ４ Pd ３ 、O ３ Pd １ Sr ２ 、-- １ B １４ Li １ 、 １ Ce １ O ３ 、C ２ B １３ Li １ 、 １１ K ３ Te １６ 、O ４ P １ ღ １ 、O ４ Si １ Zn ２ 、P ２ S ６ Th １ 、P ２ S ６ Zr １ 、 ９ Br ３４ O １ Pr ６ 、Bi ４ I ２ R １ 、 ４ O １０ Re ２ 、Br ２ Cs １ F １ 、C ２ A0 １ K １ 、C ２ Au １ Cs １ 、C ２ Au １ K １ 、C ２ Au １ Na １ 、C ２ Au １ Ra １ 、C ２ Cu １ Ra １ 、C ２ A0 １ Cs １ 、C ２ Cu １ K １ 、* ３ O １ W １ 、I ３ O １ W １ 、 ６ O ４ Zn １ 、* ６ Hf １ ee ４ 、* ６ ee ４ Zr １ 、Br ２ Cs ２ F ２ 、Cs ２ I ６ Pd １ 、C ４ Ba １ O ４ 、Ag ３ Cu １ S ２ 、 １ Cu ２ O ２ 、 １ O ７ U ２ 、C ４ O ４ Pb １ 、Cd １ I ２ O ４ 、* ２ O １ Pd ２ 、 ２ O ２ Sr １ 、-- １ Si １ Te ３ 、B １２ Br １２ Cs ２ 、B １２ C- １２ Cs ２ 、B １２ Cs ２ I １２ 、Cd ２ P ２ ee ６ 、Cs ８ O １ TS ８ 、Fe １ P １ ee ３ 、Fe ２ P ２ ee ６ 、Mg ２ P ２ ee ６ 、Nb ６ O １２ Ti ２ 、As ２ Hg ２ O ６ 、 １ O ６ Os ２ 、O ６ R ２ Sr １ 、C ２ Cs ２ Pd １ 、C ２ Cs ２ Pt １ 、C ２ K ２ Pd １ 、C ２ K ２ Pt １ 、C ２ Na ２ Pd １ 、C ２ Na ２ Pt １ 、C ２ Pd １ Rb ２ 、C ２ Pt １ Rb ２ 、H ２ B ２ Ca １ 、Mg ３ Nb ６ O １１ 、O ２ Pr ２ S １ 、O ２ Pr ２ Se １ 、B ９ Mg １ N １ 、Cs ４ O １ Tl ２ 、F １ Gd １ O １ 、H ８ F ４ N ２ 、Br ９ Os ２ Rb ３ 、C ９ Fe ２ O ９ 、Mo １ S １ Se １ 、Ag ２ I １０ Tl ６ 、Ba ５ O １０ Ru ２ 、Ca １ Ga ２ P ２ 、Ca １ In ２ P ２ 、Cl ９ Cs ３ Ru ２ 、Cl ９ Cs ３ Ti ２ 、Cs ３ F ９ Fe ２ 、Cs ３ I ９ Zr ２ 、In ２ P ２ Sr １ 、K １ Nb １ S ２ 、K １ Nb １ ee ２ 、 １ Nb １ O ２ 、 １ Nb １ S ２ 、N １ Nb １ O ２ 、N １ Nb １ S ２ 、N １ Nb １ ee ２ 、H １２ B １２ Cs ２ 、H １２ B １２ K ２ 、H １２ B １２ Ra ２ 、H １２ B １２ TS ２ 、H ２０ B １２ N ２ 、As １ Ra ３ ee １６ 、K ３ P １ ee １６ 、H ６ C- ２ N ２ 、F ６ O ２ Pt １ 、Ag １ Cu ４ Tb １ 、 １ c １ Se １ 、Bi １ Co １ _ １ 、.) １ fi １ i １ 、.) １ i １ 3 １ 、.) １ i １ ﹹ １ 、|o １ 3) １ () １ 、|| １ 2) １ () １ 、Fe １ b １ 3) １ 、Fe １ 3) １ . １ 、ｧe １ 4 １ () １ 、Hf １ i １ 3) １ 、Hf １ 0) １ 3) １ 、u １ i １ 3) １ 、b １ 2) １ 3) １ 、 ii １ ｳb １ ｳc １ 、i １ ｳb １ Y １ 、i １ 3. １ Ti １ 、i １ 3. １ h １ 、9 ４ ﳳ １ b. １ 、Pd １ ｳb １ ｳc １ 、t １ ｳb １ ｳc １ 、t １ ｳb １ Y １ 、t １ 3. １ Ti １ 、h １ ｳb １ Th １ 、2u １ ｳb １ Ta １ 、2u １ ｳb １ 6 １ 、｡g ６ Ge １０ P １２ 、8b ３ ｳb ２ Te ５ 、9n ３ 9 ８ P ２ 、e ２ Ge １ Ti １ 、 ̈ ６ B ６ Cs ２ 、 ̈ ６ B ６ K ２ 、｡g ２ Mo １ 9 ４ 、｡g ６ K ２ ﳳ ４ 、｡l １ Cs １ 9 ２ 、｡l １ K １ 9 ２ 、｡l<h2 style=";text-align:left;direction:ltr"> １ <h2 style=";text-align:left;direction:ltr"> O<h2 style=";text-align:left;direction:ltr"> ２ <h2 style=";text-align:left;direction:ltr"> 1b<h2 style=";text-align:left;direction:ltr"> １ <h2 style=";text-align:left;direction:ltr"> 、Al<h2 style=";text-align:left;direction:ltr"> ２ <h2 style=";text-align:left;direction:ltr"> Cd<h2 style=";text-align:left;direction:ltr"> １ <h2 style=";text-align:left;direction:ltr"> O<h2 style=";text-align:left;direction:ltr"> ４ <h2 style=";text-align:left;direction:ltr"> 、Al<h2 style=";text-align:left;direction:ltr"> ２ <h2 style=";text-align:left;direction:ltr"> Cd<h2 style=";text-align:left;direction:ltr"> １ <h2 style=";text-align:left;direction:ltr"> 7<h2 style=";text-align:left;direction:ltr"> ４ <h2 style=";text-align:left;direction:ltr"> 、Al<h2 style=";text-align:left;direction:ltr"> ２ <h2 style=";text-align:left;direction:ltr"> Cd<h2 style=";text-align:left;direction:ltr"> １ <h2 style=";text-align:left;direction:ltr"> 5e<h2 style=";text-align:left;direction:ltr"> ４ <h2 style=";text-align:left;direction:ltr"> 、 Al ２ Hg １ S ４ 、-- ２ Hg １ ee ４ 、-- ２ O ４ Zn １ 、-- ２ S ４ Zn １ 、-- ２ ee ４ Zn １ 、As ４ He ２ O ６ 、 ２ Ge ４ S １０ 、Cd １ G ２ O ４ 、Cd １ I ２ S ４ 、Cd １ I ２ ee ４ 、Cd １ Lu ２ S ４ 、Cd １ Lu ２ ee ４ 、Cd １ O ４ ღ ２ 、Cd １ S ４ c ２ 、Cd １ S ４ Y ２ 、Cd １ c ２ ee ４ 、Cd １ ee ４ Y ２ 、Cd ２ O ４ Si １ 、Cd ２ O ４ Se １ 、* ４ Li ２ Zn １ 、Cs １ N ２ Nb １ 、 ２ O ４ Zn １ 、Hg １ In ２ S ４ 、In ２ O ４ Zn １ 、In ２ S ４ Zn １ 、K ８ Sb ４ Sn １ 、Lu ２ Mg １ S ４ 、Lu ２ Mg １ Se ４ 、Mg １ O ４ Rh ２ 、Mg １ Se ４ Y ２ 、O ４ Rh ２ Zn １ 、O ４ Sn １ Zn ２ 、S ４ Sc ２ Zn １ 、S ４ Y ２ Zn １ 、Se ４ Y ２ Zn １ 、Ag １ Bi １ P ２ S ６ 、As １ Cl ３ F ６ S ３ 、As ２ Cd １ Ge １ K １ 、As ２ Cd １ Ge １ Rb １ 、B １８ Cs ４ Hg ２ Se １８ 、B １８ Hg ２ Rb ４ Se １８ 、B ３ Cu １ Li ３ O ７ 、Br １０ O １ Ta ２ Te ４ 、C １０ H １８ Cu ２ N ２ O １０ 、C １０ H １８ N ２ O １０ ღ ２ 、C １ F ３ Hg １ O ３ S １ 、C １ H ５ Eu １ O ７ P １ 、C １ H ５ Nd １ O ７ P １ 、C １ H ５ O ７ P １ Pr １ 、C ２ H １０ G ２ Ge ４ N ２ O １２ 、C ２ H ２６ B １２ N ８ 、C ２ H ６ Ca １ O ７ 、C ２ H ６ K ２ O １３ S １ U １ 、C ２ H ６ O １２ U ２ 、C ２ H ８ Br ３ Cu １ N １ O １ 、C ２ H ８ I ２ O １４ ee ２ 、C ３ H ７ F １ N １ O ５ Se １ 、C ４ H １１ N １ O １０ 、C ４ H １２ Ba ２ N ２ O １０ S ２ 、C ４ H １２ Fe １ O ６ S ４ 、C ４ H １２ N ６ O １４ ee ２ U ２ 、C ４ H １４ F ３ N １ O ２ V １ 、C ４ H １６ C- ６ Cu ２ N ２ 、C ４ H ７ Cs １ O １０ 、C ４ H ７ K １ O １０ 、C ５ H １０ N １ O ６ 、C ６ F ６ Na ４ O １２ Se ４ 、C ６ H １２ Fe １ N ８ O ８ 、C ６ H ４ Na ４ Np ２ O １８ 、C ８ H ２０ N ６ O １８ S ２ U ２ 、C ８ H ２８ F ６ N ２ O ４ V ２ 、C ８ H ４ K ６ N ８ O ６ Os ２ S ２ 、C ８ I ２ Mo ２ O ８ 、* １０ Mo ２ N ４ S ４ 、* １０ Nb ２ O １ Te ４ 、* ２ N ４ O １２ S １０ 、Cs ２ P ２ ee ６ Zn １ 、 １ O ９ ee ３ Sr ２ 、 ２ Na ２ O １１ Si ４ 、F ２ N ２ O ４ Xe １ 、F ２ O ７ Te ２ V ２ 、H １０ F ８ I ２ N ２ O ２ 、H １２ I ８ MM １ O ６ 、H １２ MM １ O １２ S ２ 、H １２ O １２ S ２ Zn １ 、H １４ Hg ２ O １４ Te ２ 、H １４ N ４ O ８ S ２ 、H １６ B １２ Na ２ O １４ S ６ 、H １８ O １２ ee ４ Se １ Sr ２ 、H ２４ Li ２ N ８ Te ２ 、H ２６ B ２０ K ４ O ４ 、H ３２ N １４ ee ６ Se ２ 、H ３４ C- ４ Cr ２ N ８ O ６ 、H ４ Cu ２ Na ２ O １３ Si ４ 、H ６ B ２ F ８ N ２ 、H ６ Cs ２ O １２ P ４ 、H ６ F ２２ N ２ Sb ４ 、H ６ O １２ P ４ Ra ２ 、H ８ Na ６ O １４ P ４ 、K ４ Mn １ Mo ３ O １２ 、K ４ N ２ O １４ S ４ 、Lu １ Na １ P ２ S ６ 、N １ P ２ S ６ Tb １ 、N １ P ２ S ６ Y １ 、P ２ Ra ２ ee ６ Zn １ 、C ４ H ３ Cs １ O １４ U ２ 、C ４ H ５ K １ O １５ U ２ 、C ４ H ５ O １５ Ra １ U ２ 、Cs ２ Cu ２ O １９ Si ８ 、 ２ Ge ４ O １３ c ２ 、K ３ P ５ R １ ee １０ 、Ag ２ Br ６ Hg ７ P ８ 、Ag ２ Hg ７ I ６ P ８ 、 ２ K ２ P ２ ee ６ 、 ２ Lạ ４ O ２ P ４ 、 ２ P ２ ee ６ TS ２ 、C ２ C- ２ O ４ Pb ２ 、C ２ H ２ A0 １ O ９ ﳳ １ Tb １ 、C ２ 8 ４ Ca ２ 3l ２ 9 ６ 、C ２ 8 ６ 8. ２ b ２ 、C ４ 8 ６ B １２ Cs ２ 9 １２ 8. ２ 、C ４ 8 ８ 8. ２ 9 ４ 、 ̈ ２０ B １２ Li ２ 9 ４ 、9n １ K ２ P ２ ﳳ ７ 、La ２ P ４ ﳳ １４ 4l ４ 、C ８ 8 １２ Ag ２ 8. ４ 9 ４ 、｡g １ As １ K １ ﳳ ２ 、｡g １ Cu １ 9 ４ P １ 、｡g ２ Cs ２ P ２ ｳe ６ 、｡g ２ 9 ８ P ２ 6 １ 、｡g ２ P ２ ｳe ６ 4l ２ 、 Al １ Yes １ Cu １ O ５ 、Al １ Cu １ O ８ P ２ Rb １ 、Al ２ Br ６ N ２ S ２ 、Al ２ Br ６ N ２ Yes ２ 、A １ F ６ N ２ S ３ ,Ba １ Yes １ Sb ２ Yes ６ ,Ba １ Mỏ ２ O １６ P ４ 、C １０ F ４ Mn ２ O ８ 、C １２ Yes ２ O １２ Ru ４ 、C １ O ６ P １ Sn ２ 、C ２ Yes ２ F １２ N ２ Te ４ 、C ２ Cl １０ N ２ Sb ２ 、C ２ Cu １ O ６ Tl ２ 、C ２ F ６ N ４ O ６ S ４ Yes ４ 、C ２ F ６ N ４ O ６ S ８ 、C ２ H １ Cs １ O ４ 、C ２ H ２ Na ２ O ６ 、C ２ H ４ Cs ２ O ６ 、C ２ H ４ F ６ O ６ S ２ Si ２ 、C ２ H ４ Fe ４ O １４ P ２ 、C ２ H ４ O １４ P ２ Zn ４ 、C ２ H ６ K ２ N ２ 、C ２ H ６ K ４ N ８ O １０ 、C ３ H ２ Na １ O ７ Zn １ 、C ３ H ３ Ba １ O ７ 、C ４ H １２ C- ８ Nb ２ S ２ 、C ４ H １８ B ２ P ２ 、C ４ H ２ Fe ２ O ６ 、C ４ H ２ O ８ TS ２ 、C ６ H １０ O ６ Se １ 、C ６ H ４ MM ２ Na ２ O １４ 、C ６ O １６ Ra ２ U ２ 、Cd １ Mo １ O ６ P １ 、Cd １ P ２ Ra ２ ee ６ 、* １２ Mo ２ O ４ P ２ 、Cs ２ O １２ P ２ U ２ 、Cs ４ O ２ S １０ V ２ 、 １ P １ ee ３ TS １ 、 ２ P ２ S ６ TS ２ 、 ２ P ２ ee ６ TS ２ 、F ２ N ４ O ６ S ８ 、Fe １ I １ N ２ O ２ 、Fe １ K ２ P ２ S ６ 、Fe １ K ２ P ２ Se ６ 、Fe ２ K １ O ８ P ２ 、H １０ Br ２ N ２ O ２ 、H １０ N ２ O ８ P ２ 、H １２ N ４ O ４ P ２ 、H １２ O ６ P ２ Rb ４ S ６ 、H １４ Ni １ O １２ P ２ 、H ２ Hg ６ N ４ O １４ 、H ２ O ６ P ２ Tl ２ 、H ３ K １ O ６ P ２ 、H ５ O ７ P １ V １ 、H ６ Cs ２ N ２ P ４ 、H ８ K ４ O ４ P ２ S ６ 、H ８ Li ４ O １２ P ２ 、Hg １ K ２ P ２ Se ６ 、K ２ Mg １ P ２ ee ６ 、K ２ P ２ ee ６ Zn １ 、 ２ O ８ P ２ V １ 、 ２ O １６ P ４ Sr １ 、N ２ O ８ P ２ V １ 、Ni １ O １０ P ２ V ２ 、Ag ３ P ４ S １２ TS ５ 、 １ I ２ O １４ P ４ 、 １ Lạ ２ O １４ Te ５ 、 １ O ８ P ２ Th １ 、 ２ Gd ２ O １３ Si ４ 、Bi ２ C- ８ Hg ３ Te ２ 、C １ A0 ２ C- １ N １ O ４ S １ 、C ２ A0 １ N ２ Na １ 、C ２ F ６ Na ２ O ４ Sb ２ 、C ２ H ２ Cs ２ O ５ 、C ２ H ２ K ２ O ５ 、C ２ H ２ K ２ O ６ 、C ２ H ２ O ５ Ra ２ 、C ２ H ４ B ２ O ２ 、C ２ H ６ Fe １ N ２ O ４ 、C ２ H ８ C- ３ Cu １ N １ 、C ２ H ８ I ２ N ４ S ２ 、C ２ N ２ O ６ S ２ 、C ４ H １２ MM １ O ６ S ４ 、C ４ H １６ F ４ Mn １ N １ O ２ 、C ４ H ４ O １０ Th １ 、C ４ H ６ Ba １ O １０ 、C ４ H ６ Cd １ O ２ S ４ 、C ４ H ６ Na ２ O ７ 、C ４ H ６ O ７ Sr １ 、C ４ H ８ Cd １ C- ２ N ２ 、C ４ H ８ O １２ Th １ 、C ４ H ８ O ８ Zn １ 、C ６ H ６ A0 ３ Co １ N ８ 、Cd ３ Na ２ O １０ Si ３ 、* ３ Na ２ O １２ Te ４ Y ３ 、 １ Mo ２ O ８ Sb １ 、Eu １ O ８ Ra １ S ２ 、F ９ K ５ O ４ U ２ 、H １４ Na ３ Np １ O １２ 、H ２ F ４ K １ Mn １ O １ 、H ２ F ４ Mn １ O １ Ra １ 、H ４ Ca ２ O １３ P ３ V １ 、H ４ F ４ O ２ Ra １ V １ 、H ８ Ni １ O １０ V ２ 、Hg １ I １ S ３ TS １ 、Hg １ O ７ P ２ Pd １ 、K ２ Ra ２ Re ６ S １３ 、K ４ Mo ８ O ５２ P １２ 、O １４ Sr ３ Te ４ U １ 、As ２ C- ３ Hg ３ TS １ 、Br ３ Hg ３ Sb ２ TS １ 、H ８ Cs ４ O ４ P ２ ee ６ 、H ８ O ４ P ２ Ra ４ ee ６ 、 ２ O ８ S ２ Ta ３ 、* １ N ２ S １ ee ２ 、Cr ２ Li ４ N ６ Sr ２ 、H ６ F ６ N ２ Si １ 、H ６ F １ N １ O ２ 、H ６ F ５ N ２ Sb １ 、As ６ Ba ４ Cd ３ Li ２ 、 ４ Cd ３ Li ２ P ６ 、C ４ H １２ C- ８ Nb ２ ee ２ 、H ８ K ４ O ４ P ２ ee ６ 、 １ O ７ Sr １ Ta ２ 、Br ９ Cs ５ Nb ２ S ４ 、Br ９ Nb ２ S ４ TS ５ 、* ８ Cs ５ I １ S ４ U ２ 、* ９ Cs ５ Nb ２ S ４ 、* ９ Nb ２ S ４ TS ５ 、F １ K １ Nb ２ O ６ Sr １ 、H １ Lạ ２ Li １ O ３ 、 １ O １１ Sr ２ Ta ３ 、C ４ N ４ Pt １ Ra ２ 、Cs １ F ３ Mo １ O ２ 、H ４ Al １ F ５ O ２ Zn １ 、K １ Na ２ O １５ Si ６ Y １ 、 １ Nb ２ O ７ Ra １ 、 ２ O ７ P ２ Pd １ 、O １４ P ４ Pd ３ TS ２ 、C ４ Cd １ Hg １ N ４ S ４ 、C ４ Cd １ Hg １ N ４ ee ４ 、C ４ Cd １ N ４ S ４ Zn １ 、C ４ Cd １ N ４ ee ４ Zn １ 、C ４ Co １ Cs １ O ４ 、C ４ Hg １ N ４ S ４ Zn １ 、C ４ Hg １ N ４ ee ４ Zn １ 、* １ K ２ Na １ O ６ S ２ 、 １ O ７ Si ２ V １ 、C ４ H ８ I １ K １ O １２ 、C ４ H ８ K １ Lu １ O １２ 、C ８ K １ O ８ Y １ 、* ２ K ５ Na １ O １２ S ４ 、Br ４ Cs ２ I ２ Pd １ 、Br ４ I ２ Pd １ Rb ２ 、Cl ４ Cs ２ I ２ Pd １ 、Ba ４ Bi ３ K １ O １ 、Ba ４ K １ O １ Sb ３ 、Ba ４ O １ Rb １ Sb ３ 、As ２ Cs ２ O ８ Th １ 、Ce １ K ２ O ８ P ２ 、Cl ２ Cs ２ N ２ O ６ Pb １ 、As １ K １ Ni １ O ４ 、As １ Na １ Ni １ O ４ 、As ２ Ba １ Ni ２ O ８ 、Ba １ Ni ２ O ８ P ２ 、C ４ H ４ Cd １ O ６ 、Ca ２ Li ６ Mn ２ N ６ 、Br １５ Cs ２ La １ O ３ Ta ６ 、Cl １８ Cs １ Lu １ Nb ６ 、C ８ H ２４ Cl １８ N ２ Nb ６ 、Ce １ O １ P １ Zn １ 、H １２ B １２ Br １ Cs ３ 、H １２ B １２ Br １ K ３ 、H １２ B １２ Br １ Rb ３ 、H １２ B １２ Cl １ Cs ３ 、H １２ B １２ Cl １ Rb ３ 、H １２ B １２ Cs ３ I １ 、H １２ B １２ I １ K ３ 、H １２ B １２ I １ Rb ３ 、As ２ Ba ６ Na ２ O １７ Ru ２ 、Ba ５ Br ２ O ９ Ru ２ 、Ba ６ Na ２ O １７ Ru ２ V ２ 、C ４ Fe ２ Na ６ O １６ S １ 、Cs ３ Mo ４ O １６ P ３ 、Ag ３ Yes ３ P ６ Sn ２ 、Ag ３ P ６ Yes ３ Sn ２ , C ４ Cd １ K ２ N ４ , C ４ Hg １ K ２ N ４ and C ４ K ２ N ４ Zinc １ The catalyst is selected from the list consisting of:

8. Water decomposition (OER and / or HER), ammonia synthesis, CO ２ 8. Use of the catalyst according to claim 7 or of the compound obtainable by the process according to claim 1 or 4 as a catalyst for the reduction and oxygen reduction reaction (ORR).

9. Use of the catalyst according to claim 8 for the oxygen reduction reaction (ORR) in a fuel cell.

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