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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Zn(InS2)2 | ICSD | 15636 | R3m (160) | ✗ | 7 | 62 | 2 | 0.0 | 0.019 | 0.068 | (1;000) | ✔ | 06/10/16 |
| Zn(InS2)2 | ICSD | 42667 | R3m (160) | ✗ | 7 | 62 | 2 | 0.0 | 0.011 | 0.068 | (1;000) | ✔ | 06/10/16 |
| Zn(InS2)2 | ICSD | 16974 | R3m (160) | ✗ | 7 | 62 | 2 | 0.0 | 0.019 | 0.068 | (1;000) | ✔ | 06/10/16 |
| Zn(InS2)2 | ICSD | 44637 | P3m1 (156) | ✗ | 7 | 62 | 2 | 0.0 | 0.003 | 0.065 | (1;000) | ✔ | 06/10/16 |
| Zn(InS2)2 | ICSD | 603024 | R3m (160) | ✗ | 7 | 62 | 2 | 0.0 | 0.021 | 0.068 | (1;000) | ✔ | 06/10/16 |
| Zn(InS2)2 | ICSD | 640407 | R3m (160) | ✗ | 7 | 62 | 2 | 0.0 | 0.007 | 0.206 | ? | ✗ | 06/10/16 |
| Zn(InSe2)2 | ICSD | 25647 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.0876 | 1.088 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Zn(InTe2)2 | ICSD | 25650 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.8631 | 0.863 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CaCoSi | ICSD | 428148 | P4/nmm (129) | ✔ | 6 | 62 | 1 | 0.0 | 0.000 | 0.814 | (0;001) | ✗ | 27/01/17 |
| CaPtF6 | ICSD | 37443 | R-3 (148) | ✔ | 8 | 62 | 1 | 2.8543 | 2.877 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaGa4 | ICSD | 58892 | I4/mmm (139) | ✔ | 5 | 62 | 3 | 0.0 | 0.002 | 0.293 | (1;000) | ✗ | 27/01/17 |
| SnRh | COD | 9008915 | P6_3/mmc (194) | ✔ | 4 | 62 | 3 | 0.0 | 0.000 | 0.817 | (0;000) | ✗ | 27/01/17 |
| ScNi2 | COD | 1523497 | Fd-3m (227) | ✔ | 6 | 62 | 3 | 0.0 | 0.000 | 0.438 | (0;000) | ✗ | 27/01/17 |
| YNi2 | ICSD | 647087 | Fd-3m (227) | ✔ | 6 | 62 | 3 | 0.0 | 0.000 | 0.400 | (0;000) | ✗ | 27/01/17 |
| LiRuO2 | ICSD | 48007 | Pnnm (58) | ✔ | 8 | 62 | 3 | 0.0 | 0.000 | 0.833 | (0;000) | ✗ | 27/01/17 |
| W3N4 | ICSD | 30370 | Pm-3m (221) | ✔ | 7 | 62 | 3 | 0.0 | 0.011 | 0.745 | (1;111) | ✗ | 27/01/17 |
| TaPd | ICSD | 648973 | P4/nmm (129) | ✔ | 4 | 62 | 3 | 0.0 | 0.000 | 0.696 | (1;001) | ✗ | 27/01/17 |
| Ti(NbSe2)2 | ICSD | 645393 | Cm (8) | ✗ | 7 | 62 | 3 | 0.0 | 0.002 | 0.721 | (0;101) | ✔ | 06/10/16 |
| Ti(VTe2)2 | ICSD | 653087 | C2/m (12) | ✔ | 7 | 62 | 3 | 0.0 | 0.009 | 0.663 | (1;000) | ✗ | 27/01/17 |
| Mn3GaC | COD | 1008110 | Pm-3m (221) | ✔ | 5 | 62 | 3 | 0.0 | 0.000 | 0.317 | (1;000) | ✗ | 27/01/17 |
| Mn3InC | ICSD | 106306 | Pm-3m (221) | ✔ | 5 | 62 | 3 | 0.0 | 0.003 | 0.681 | (0;000) | ✗ | 27/01/17 |
| YPt2 | COD | 1523663 | Fd-3m (227) | ✔ | 6 | 62 | 3 | 0.0 | 0.000 | 0.339 | (0;000) | ✗ | 27/01/17 |
| Ag2HgI4 | ICSD | 150343 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.0055 | 1.006 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ag2HgI4 | ICSD | 25592 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.0077 | 1.008 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ag2HgI4 | ICSD | 6069 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.0269 | 1.027 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Tl3SbS3 | ICSD | 48133 | R3m (160) | ✗ | 7 | 62 | 3 | 1.2263 | 1.230 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Tl3SbS3 | ICSD | 603664 | R3m (160) | ✗ | 7 | 62 | 2 | 1.0866 | 0.290 | 1.000 | (0;000) | ✗ | 06/10/16 |
| AlGa3N4 | ICSD | 187054 | P-43m (215) | ✗ | 8 | 62 | 3 | 2.3197 | 2.320 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Pt(NCl3)2 | COD | 9016043 | Fm-3m (225) | ✔ | 9 | 62 | 1 | 0.0 | 0.000 | 0.566 | (1;000) | ✗ | 02/02/17 |
| ScNi4Au | ICSD | 612227 | F-43m (216) | ✗ | 6 | 62 | 3 | 0.0 | 0.004 | 0.942 | ? | ✗ | 15/02/17 |
| Cd(InSe2)2 | ICSD | 620049 | P-42m (111) | ✗ | 7 | 62 | 3 | 0.8336 | 0.834 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ba3(LiSb)4 | ICSD | 615946 | Immm (71) | ✔ | 11 | 62 | 1 | 0.0 | 0.042 | 0.196 | (0;111) | ✗ | 02/02/17 |
| HfNi5 | ICSD | 150940 | F-43m (216) | ✗ | 6 | 62 | 3 | 0.0 | 0.011 | 0.883 | ? | ✗ | 15/02/17 |
| CdCu2GeTe4 | ICSD | 656154 | I-42m (121) | ✗ | 8 | 62 | 3 | 0.0 | 0.009 | 0.129 | (1;000) | ✔ | 22/03/17 |
| FeAgS2 | COD | 1509337 | I-42d (122) | ✗ | 8 | 62 | 3 | 0.0 | 0.000 | 0.737 | ? | ✗ | 15/02/17 |
| NaNiIO6 | ICSD | 23543 | P312 (149) | ✗ | 9 | 62 | 2 | 1.4416 | 1.533 | 0.000 | (0;000) | ✗ | 15/02/17 |
| ZnCu2GeSe4 | ICSD | 627827 | I-42m (121) | ✗ | 8 | 62 | 3 | 0.0 | 0.023 | 0.007 | (1;000) | ✔ | 15/02/17 |
| CdInGaS4 | ICSD | 2465 | P3m1 (156) | ✗ | 7 | 62 | 2 | 0.0 | 0.009 | 0.128 | (1;000) | ✔ | 22/03/17 |
| YGaI | ICSD | 417149 | P-3m1 (164) | ✔ | 6 | 62 | 2 | 0.0 | 0.781 | 0.317 | (0;000) | ✗ | 22/03/17 |
| FeCuS2 | COD | 9015636 | I-42d (122) | ✗ | 8 | 62 | 3 | 0.0 | 0.000 | 0.762 | ? | ✗ | 15/02/17 |
| Cu2HgGeS4 | ICSD | 94988 | I-42m (121) | ✗ | 8 | 62 | 3 | 0.0465 | 0.047 | 0.000 | (0;000) | ✔ | 22/03/17 |
| Zr4NiP | ICSD | 646191 | P4/mcc (124) | ✔ | 12 | 62 | 3 | 0.0 | 0.000 | 0.580 | (0;110) | ✗ | 02/02/17 |
| ZnCu2GeTe4 | ICSD | 656153 | I-42m (121) | ✗ | 8 | 62 | 3 | 0.0 | 0.016 | 0.181 | (1;000) | ✔ | 22/03/17 |
| ZnSi(CuTe2)2 | ICSD | 656150 | I-42m (121) | ✗ | 8 | 62 | 3 | 0.0426 | 0.052 | 0.000 | (0;000) | ✔ | 22/03/17 |
| SiCu2HgTe4 | ICSD | 656152 | I-42m (121) | ✗ | 8 | 62 | 3 | 0.0 | 0.014 | 0.110 | (1;000) | ✔ | 11/04/17 |
| BW | ICSD | 615689 | Cmcm (63) | ✔ | 4 | 62 | 3 | 0.0 | 0.000 | 0.723 | (0;110) | ✗ | 11/04/17 |
| SrNiSn3 | COD | 1523462 | I4mm (107) | ✗ | 5 | 62 | 3 | 0.0 | 0.020 | 0.358 | (1;000) | ✔ | 29/03/17 |
| H7O4 | COD | 9015632 | Ibam (72) | ✔ | 22 | 62 | 2 | 0.0 | 0.000 | 0.810 | (1;111) | ✗ | 04/08/17 |
| KNiIO6 | ICSD | 60313 | P312 (149) | ✗ | 9 | 62 | 3 | 0.9095 | 0.930 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Sr3(LiSb)4 | ICSD | 25307 | Immm (71) | ✔ | 11 | 62 | 1 | 0.0 | 0.030 | 0.181 | (0;111) | ✗ | 02/02/17 |
| Cu2HgGeSe4 | ICSD | 152761 | I-42m (121) | ✗ | 8 | 62 | 3 | 0.0 | 0.007 | 0.007 | (1;000) | ✔ | 15/02/17 |
| ZnCu2GeS4 | ICSD | 61693 | I-42m (121) | ✗ | 8 | 62 | 3 | 0.6521 | 0.652 | 0.000 | (0;000) | ✗ | 15/02/17 |
| BaNiSn3 | ICSD | 58662 | I4mm (107) | ✗ | 5 | 62 | 3 | 0.0 | 0.004 | 0.383 | (0;110) | ✔ | 21/03/17 |
| Li7SbO6 | COD | 7221349 | R3 (146) | ✗ | 14 | 62 | 1 | 3.0683 | 3.108 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CdH6C2I2(NO)2 | ICSD | 192774 | P-1 (2) | ✔ | 15 | 62 | 1 | 2.8954 | 2.929 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CdSi(CuTe2)2 | ICSD | 656151 | I-42m (121) | ✗ | 8 | 62 | 3 | 0.0221 | 0.022 | 0.000 | (0;000) | ✔ | 22/03/17 |
| Cs2Li3I5 | ICSD | 35655 | C2/m (12) | ✔ | 10 | 62 | 1 | 3.703 | 3.703 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Cu2HgGeTe4 | ICSD | 656155 | I-42m (121) | ✗ | 8 | 62 | 3 | 0.0 | 0.008 | 0.165 | (1;000) | ✔ | 22/03/17 |
| YH3(CO2)3 | ICSD | 109739 | R3m (160) | ✗ | 13 | 62 | 3 | 4.1092 | 4.109 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Ba3(LiAs)4 | COD | 2008761 | Immm (71) | ✔ | 11 | 62 | 1 | 0.0 | 0.002 | 0.021 | (0;000) | ✗ | 21/03/17 |
| KMnCl | ICSD | 173938 | Imma (74) | ✔ | 6 | 62 | 1 | 0.0 | 0.001 | 0.755 | (1;101) | ✗ | 02/02/17 |
| CdCu2GeSe4 | ICSD | 95235 | I-42m (121) | ✗ | 8 | 62 | 3 | 0.0024 | 0.003 | 0.000 | (1;000) | ✔ | 15/02/17 |
| Cd(InSe2)2 | ICSD | 620044 | I-42m (121) | ✗ | 7 | 62 | 3 | 0.9858 | 0.986 | 0.000 | (0;000) | ✗ | 15/02/17 |
| YNi4Au | ICSD | 612233 | F-43m (216) | ✗ | 6 | 62 | 3 | 0.0 | 0.009 | 0.950 | ? | ✗ | 15/02/17 |
| LiAs | COD | 9008949 | P2_1/c (14) | ✔ | 16 | 64 | 1 | 0.4721 | 0.668 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Al5C3N | COD | 1010635 | P6_3mc (186) | ✗ | 18 | 64 | 3 | 0.176 | 1.164 | 0.000 | (0;000) | ✔ | 26/04/17 |
| Cs2SiP2 | COD | 1008522 | Ibam (72) | ✔ | 10 | 64 | 1 | 1.3238 | 1.545 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li2Ca | ICSD | 619389 | P6_3/mmc (194) | ✔ | 12 | 64 | 1 | 0.0 | 0.000 | 0.659 | (1;000) | ✗ | 02/02/17 |
| SiO2 | COD | 9006298 | P1 (1) | ✗ | 12 | 64 | 3 | 5.4069 | 5.407 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Zr4CuP | ICSD | 108398 | P4/mcc (124) | ✔ | 12 | 64 | 3 | 0.0 | 0.008 | 0.435 | (0;110) | ✗ | 02/02/17 |
| Li3AuS2 | COD | 4319430 | Ibam (72) | ✔ | 12 | 64 | 1 | 1.7845 | 1.785 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KBH4 | ICSD | 160986 | Pnma (62) | ✔ | 24 | 64 | 3 | 0.0 | 0.007 | 0.354 | (1;000) | ✗ | 04/08/17 |
| Rb3As | ICSD | 25551 | P6_3/mmc (194) | ✔ | 8 | 64 | 1 | 0.0 | 0.029 | 0.050 | (0;000) | ✗ | 30/01/17 |
| KH8N3 | ICSD | 414496 | C222_1 (20) | ✗ | 24 | 64 | 1 | 2.6336 | 2.696 | 0.000 | (0;000) | ✗ | 04/08/17 |
| AlPS4 | ICSD | 56821 | P4_2mc (105) | ✗ | 12 | 64 | 2 | 0.0 | 0.003 | 0.875 | ? | ✗ | 16/03/17 |
| SiO2 | COD | 9006299 | Cc (9) | ✗ | 12 | 64 | 3 | 5.6757 | 5.787 | 0.000 | (0;000) | ✗ | 15/02/17 |
| CO2 | COD | 9015590 | P4_12_12 (92) | ✗ | 12 | 64 | 3 | 5.8337 | 5.985 | 0.000 | (0;000) | ✗ | 15/02/17 |
| Pt(SCl3)2 | ICSD | 66013 | P-1 (2) | ✔ | 9 | 64 | 1 | 1.6439 | 1.676 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CsI | COD | 9016261 | Pnma (62) | ✔ | 8 | 64 | 1 | 2.5201 | 2.520 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SiO2 | COD | 9006293 | P1 (1) | ✗ | 12 | 64 | 3 | 5.6723 | 5.719 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SrLi4N2 | ICSD | 87413 | I4_1/amd (141) | ✔ | 14 | 64 | 1 | 0.9167 | 1.149 | 0.000 | (0;000) | ✗ | 29/03/17 |
| Be4TeO7 | COD | 2106455 | F-43m (216) | ✗ | 12 | 64 | 1 | 1.6716 | 1.672 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SiO2 | COD | 9006303 | P1 (1) | ✗ | 12 | 64 | 3 | 4.5774 | 4.577 | 0.000 | (0;000) | ✗ | 15/02/17 |
| ZrCl4 | ICSD | 26049 | P2/c (13) | ✔ | 10 | 64 | 1 | 3.4913 | 3.573 | 0.000 | (0;000) | ✗ | 02/02/17 |
| RbPS3 | ICSD | 416176 | Immm (71) | ✔ | 10 | 64 | 1 | 1.759 | 1.775 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Al4SiC4 | ICSD | 606255 | P6_3mc (186) | ✗ | 18 | 64 | 3 | 0.0 | 0.002 | 0.493 | ? | ✗ | 21/03/17 |
| YI3 | COD | 2206574 | R-3 (148) | ✔ | 8 | 64 | 2 | 2.4264 | 2.773 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K3As | COD | 1010297 | P6_3/mmc (194) | ✔ | 8 | 64 | 1 | 0.1714 | 0.204 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Li2Ca | COD | 1527864 | P6_3/mmc (194) | ✔ | 12 | 64 | 1 | 0.0 | 0.001 | 0.548 | (1;000) | ✗ | 02/02/17 |
| SiO2 | COD | 9006295 | C2 (5) | ✗ | 12 | 64 | 3 | 5.6133 | 5.613 | 0.000 | (0;000) | ✗ | 15/02/17 |
| SiO2 | COD | 9006289 | Ima2 (46) | ✗ | 12 | 64 | 3 | 5.7343 | 6.013 | 0.000 | (0;000) | ✗ | 29/03/17 |
| H4C4BrN | COD | 2003427 | C2/m (12) | ✔ | 20 | 64 | 2 | 4.0401 | 4.124 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SiO2 | COD | 9006292 | C2/c (15) | ✔ | 12 | 64 | 3 | 5.7175 | 5.979 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KAlH4 | COD | 1532616 | Pnma (62) | ✔ | 24 | 64 | 1 | 5.0402 | 5.300 | 0.000 | (0;000) | ✗ | 04/08/17 |
| SrS | COD | 9016565 | Pnma (62) | ✔ | 8 | 64 | 1 | 1.1672 | 1.167 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SiO2 | COD | 9006304 | P1 (1) | ✗ | 12 | 64 | 3 | 4.624 | 4.702 | 0.000 | (0;000) | ✗ | 15/02/17 |
| As(CN)3 | COD | 2310572 | C2 (5) | ✗ | 14 | 64 | 1 | 4.5336 | 4.574 | 0.000 | (0;000) | ✗ | 21/03/17 |
| NaBH4 | ICSD | 166446 | Pnma (62) | ✔ | 24 | 64 | 1 | 6.1844 | 6.186 | 0.000 | (0;000) | ✗ | 04/08/17 |
| Zr5Si3 | ICSD | 656924 | P6_3/mcm (193) | ✔ | 16 | 64 | 3 | 0.0 | 0.000 | 0.570 | (1;000) | ✗ | 02/02/17 |
| H3C2N | COD | 5000306 | P-1 (2) | ✔ | 24 | 64 | 1 | 3.0551 | 3.102 | 0.000 | (0;000) | ✗ | 04/08/17 |