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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Li2TeO3 | ICSD | 4317 | C2/c (15) | ✔ | 24 | 120 | 1 | 3.5317 | 3.761 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K2ZrTe3 | ICSD | 410734 | P2_1/c (14) | ✔ | 24 | 160 | 1 | 0.4061 | 0.409 | 0.000 | (0;000) | ✗ | 04/08/17 |
| KNaO | ICSD | 32743 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 2.318 | 2.413 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KLiSe | ICSD | 67277 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 2.4508 | 2.488 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2PtSe2 | ICSD | 40430 | Immm (71) | ✔ | 5 | 40 | 1 | 1.0192 | 1.560 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2Se | COD | 9009057 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 2.0628 | 2.195 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2PdS2 | ICSD | 641296 | Immm (71) | ✔ | 5 | 48 | 1 | 1.1239 | 1.634 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2PdSe2 | ICSD | 641298 | Immm (71) | ✔ | 5 | 48 | 1 | 0.8935 | 1.406 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaInI4 | ICSD | 65463 | P2_1/c (14) | ✔ | 24 | 200 | 1 | 2.2385 | 2.239 | 0.000 | (0;000) | ✗ | 04/08/17 |
| K2Pb(SO4)2 | COD | 9012718 | R-3m (166) | ✔ | 13 | 92 | 1 | 3.8802 | 4.111 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrI2 | COD | 9008163 | Pbca (61) | ✔ | 24 | 192 | 1 | 3.674 | 3.674 | 0.000 | (0;000) | ✗ | 04/08/17 |
| InI2 | ICSD | 201607 | Pnna (52) | ✔ | 24 | 216 | 1 | 1.6982 | 1.707 | 0.000 | (0;000) | ✗ | 04/08/17 |
| LiNbO3 | COD | 9016248 | R-3 (148) | ✔ | 10 | 68 | 1 | 3.7653 | 3.863 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiO2 | COD | 9014136 | C2/m (12) | ✔ | 6 | 30 | 1 | 0.0 | 0.004 | 0.735 | (1;110) | ✗ | 27/01/17 |
| Sr2LiReO6 | ICSD | 246731 | Fm-3m (225) | ✔ | 10 | 74 | 1 | 2.2293 | 2.314 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrLiP | ICSD | 416889 | P6_3/mmc (194) | ✔ | 6 | 36 | 1 | 1.3152 | 1.464 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbLiSe | ICSD | 78878 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 2.2723 | 2.337 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiSbS2 | ICSD | 427506 | C2/c (15) | ✔ | 8 | 40 | 1 | 0.4822 | 0.520 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaMgSb | COD | 9008323 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 0.8715 | 0.964 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaMnO2 | COD | 1527537 | Pmmn (59) | ✔ | 8 | 72 | 1 | 0.0 | 0.000 | 0.211 | (0;001) | ✗ | 27/01/17 |
| NaMnP | ICSD | 60728 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.869 | (1;000) | ✗ | 27/01/17 |
| NaMnSb | ICSD | 60734 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.867 | (1;000) | ✗ | 27/01/17 |
| SrMnSn | ICSD | 66951 | P4/nmm (129) | ✔ | 6 | 78 | 1 | 0.0 | 0.000 | 0.819 | (1;000) | ✗ | 27/01/17 |
| SrMnSn | ICSD | 66963 | P4/nmm (129) | ✔ | 6 | 78 | 1 | 0.0 | 0.000 | 0.868 | (0;000) | ✗ | 27/01/17 |
| Li2O2 | COD | 1514089 | P6_3/mmc (194) | ✔ | 8 | 36 | 1 | 1.6247 | 1.625 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li4PbO4 | ICSD | 1411 | Cmcm (63) | ✔ | 18 | 100 | 1 | 1.602 | 1.602 | 0.000 | (0;000) | ✗ | 27/01/17 |
| N2O | COD | 1010059 | Pa3 (205) | ✔ | 12 | 64 | 1 | 3.5955 | 3.773 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr2ZnN2 | COD | 1005019 | I4/mmm (139) | ✔ | 5 | 42 | 1 | 0.6805 | 0.681 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2PtO2 | ICSD | 25018 | Immm (71) | ✔ | 5 | 40 | 1 | 1.5347 | 1.903 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2SO3 | COD | 1010523 | P-3 (147) | ✔ | 12 | 84 | 1 | 4.0495 | 4.171 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2SO4 | ICSD | 27955 | P-3m1 (164) | ✔ | 14 | 96 | 1 | 0.0 | 0.000 | 0.521 | (1;000) | ✗ | 27/01/17 |
| Na2SO4 | COD | 1010522 | Cmcm (63) | ✔ | 14 | 96 | 1 | 5.0257 | 5.223 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2O | COD | 9009063 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 1.9686 | 1.969 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2Ti2Sb2O | ICSD | 91204 | I4/mmm (139) | ✔ | 7 | 58 | 1 | 0.0 | 0.019 | 0.592 | (0;000) | ✗ | 27/01/17 |
| Na2S | COD | 2106221 | P6_3/mmc (194) | ✔ | 6 | 48 | 1 | 2.4792 | 2.479 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2S | COD | 9009064 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 2.4848 | 2.485 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na5ReO6 | ICSD | 38382 | C2/m (12) | ✔ | 12 | 96 | 1 | 2.3756 | 2.376 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbNaTiO3 | ICSD | 78753 | C2/c (15) | ✔ | 12 | 96 | 1 | 3.7013 | 3.738 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbNaO | ICSD | 61092 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 2.2509 | 2.368 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaZnP | ICSD | 61083 | P4/nmm (129) | ✔ | 6 | 52 | 1 | 0.8574 | 0.857 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaZnSb | COD | 7221369 | P4/nmm (129) | ✔ | 6 | 52 | 1 | 0.0 | 0.025 | 0.097 | (0;000) | ✗ | 27/01/17 |
| N2 | ICSD | 644518 | P6_3/mmc (194) | ✔ | 2 | 10 | 1 | 0.0 | 0.000 | 0.808 | (0;000) | ✗ | 27/01/17 |
| Rb2NiO2 | ICSD | 66277 | I4/mmm (139) | ✔ | 5 | 40 | 1 | 0.0 | 0.051 | 0.639 | (0;000) | ✗ | 27/01/17 |
| SrNiO2 | COD | 2002309 | Cmcm (63) | ✔ | 8 | 64 | 1 | 0.0 | 0.026 | 0.485 | (0;000) | ✗ | 27/01/17 |
| RbNO3 | COD | 2106532 | Pmmn (59) | ✔ | 10 | 64 | 1 | 3.2649 | 3.265 | 0.000 | (0;000) | ✗ | 27/01/17 |
| N2 | COD | 9008571 | Pa3 (205) | ✔ | 8 | 40 | 1 | 7.8876 | 7.909 | 0.000 | (0;000) | ✗ | 27/01/17 |
| N2 | COD | 9012477 | P6_3/mmc (194) | ✔ | 4 | 20 | 1 | 6.0626 | 6.531 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SN | ICSD | 165332 | P2_1/c (14) | ✔ | 8 | 44 | 1 | 0.0 | 0.007 | 0.559 | (0;000) | ✗ | 27/01/17 |
| RbPO3 | ICSD | 70035 | Cmcm (63) | ✔ | 10 | 64 | 1 | 4.5945 | 4.595 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Na2FeO4 | ICSD | 50478 | Cmcm (63) | ✔ | 14 | 100 | 1 | 0.0 | 0.008 | 0.250 | (1;000) | ✗ | 27/01/17 |
| P2Pb3O8 | COD | 2102273 | R-3m (166) | ✔ | 13 | 100 | 1 | 3.1324 | 3.247 | 0.000 | (0;000) | ✗ | 27/01/17 |
| O2 | ICSD | 190369 | R-3m (166) | ✔ | 2 | 12 | 1 | 0.0 | 0.027 | 0.525 | (0;000) | ✗ | 27/01/17 |
| O2 | ICSD | 28530 | P4/mmm (123) | ✔ | 1 | 6 | 1 | 0.0 | 0.025 | 0.322 | (0;000) | ✗ | 27/01/17 |
| Sr4P2O | ICSD | 33903 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 1.2028 | 1.238 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Rb2O2 | COD | 9008990 | Immm (71) | ✔ | 4 | 30 | 1 | 1.7779 | 1.859 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrO | COD | 7200689 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 3.293 | 3.362 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Rb2PdSe2 | ICSD | 648724 | Immm (71) | ✔ | 5 | 48 | 1 | 0.9267 | 1.384 | 0.000 | (0;000) | ✗ | 27/01/17 |
| P | ICSD | 162244 | Cmcm (63) | ✔ | 4 | 20 | 1 | 0.0 | 0.006 | 0.785 | (0;110) | ✗ | 27/01/17 |
| P | COD | 9012486 | Cmce (64) | ✔ | 4 | 20 | 1 | 0.0 | 0.007 | 0.018 | (1;110) | ✗ | 27/01/17 |
| Rb2PtS2 | ICSD | 26259 | Immm (71) | ✔ | 5 | 40 | 1 | 1.3041 | 1.824 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Rb2PtSe2 | ICSD | 40431 | Immm (71) | ✔ | 5 | 40 | 1 | 1.045 | 1.548 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Li5SbO5 | COD | 1530019 | C2/m (12) | ✔ | 11 | 50 | 1 | 3.4302 | 3.733 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Rb2S | COD | 2104951 | P6_3/mmc (194) | ✔ | 6 | 48 | 1 | 2.7069 | 2.707 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Rb2S | COD | 9009068 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 2.1158 | 2.527 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbS | ICSD | 73175 | Immm (71) | ✔ | 4 | 30 | 1 | 1.6796 | 1.873 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TaS2 | ICSD | 24757 | R-3m (166) | ✔ | 6 | 50 | 1 | 0.0 | 0.002 | 0.929 | (1;000) | ✗ | 27/01/17 |
| Sb | COD | 9013464 | P6_3/mmc (194) | ✔ | 2 | 10 | 1 | 0.0 | 0.000 | 0.874 | (1;000) | ✗ | 27/01/17 |
| SiSe2 | ICSD | 24592 | Ibam (72) | ✔ | 6 | 32 | 1 | 2.1117 | 2.277 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Se | COD | 9013138 | R-3 (148) | ✔ | 6 | 36 | 1 | 1.2105 | 1.351 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Si | ICSD | 163246 | I4/mmm (139) | ✔ | 1 | 4 | 1 | 0.0 | 0.027 | 0.613 | (0;000) | ✗ | 27/01/17 |
| SrSi | ICSD | 78997 | Cmcm (63) | ✔ | 4 | 28 | 1 | 0.0 | 0.001 | 0.165 | (0;110) | ✗ | 27/01/17 |
| Sn | COD | 9012005 | Fm-3m (225) | ✔ | 1 | 14 | 1 | 0.0 | 0.262 | 0.540 | (0;000) | ✗ | 27/01/17 |
| Sr | COD | 1512543 | Fm-3m (225) | ✔ | 1 | 10 | 1 | 0.0 | 0.041 | 0.180 | (0;000) | ✗ | 27/01/17 |
| Sr | COD | 9011726 | I4_1/amd (141) | ✔ | 2 | 20 | 1 | 0.0 | 0.003 | 0.174 | (1;111) | ✗ | 27/01/17 |
| Sr | COD | 9012728 | P6_3/mmc (194) | ✔ | 2 | 20 | 1 | 0.0 | 0.009 | 0.365 | (0;000) | ✗ | 27/01/17 |
| SrTe | ICSD | 52491 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 0.0 | 0.039 | 0.061 | (1;000) | ✗ | 27/01/17 |
| SrS | COD | 9008728 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 2.4425 | 2.896 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaYAgTe3 | ICSD | 88717 | Cmcm (63) | ✔ | 12 | 100 | 1 | 0.4318 | 0.783 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Sr3Ag2 | COD | 1509721 | R-3 (148) | ✔ | 15 | 156 | 1 | 0.0 | 0.000 | 0.679 | (1;000) | ✗ | 30/01/17 |
| CsAg3S2 | COD | 1509993 | C2/m (12) | ✔ | 12 | 108 | 1 | 0.4373 | 0.437 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CsAg3Se2 | COD | 1509996 | C2/m (12) | ✔ | 12 | 108 | 1 | 0.1996 | 0.200 | 0.000 | (0;000) | ✗ | 30/01/17 |
| RbAg3S2 | ICSD | 1034 | C2/m (12) | ✔ | 12 | 108 | 1 | 0.2691 | 0.292 | 0.000 | (0;000) | ✗ | 30/01/17 |
| RbAg3S2 | COD | 1510034 | C2/m (12) | ✔ | 12 | 108 | 1 | 1.236 | 1.446 | 0.000 | (0;000) | ✗ | 30/01/17 |
| RbAg3Te2 | COD | 1510038 | C2/m (12) | ✔ | 12 | 108 | 1 | 0.2065 | 0.207 | 0.000 | (0;000) | ✗ | 30/01/17 |
| K2Ag4S3 | COD | 1509882 | C2/m (12) | ✔ | 18 | 160 | 1 | 0.17 | 0.170 | 0.000 | (0;000) | ✗ | 30/01/17 |
| SnS | ICSD | 52106 | Cmcm (63) | ✔ | 4 | 40 | 1 | 0.0 | 0.084 | 0.171 | (0;000) | ✗ | 27/01/17 |
| K2TaAgS4 | ICSD | 84294 | Fddd (70) | ✔ | 16 | 132 | 1 | 2.5212 | 2.523 | 0.000 | (0;000) | ✗ | 30/01/17 |
| K5Ag(NO)2 | ICSD | 73296 | Pbam (55) | ✔ | 20 | 156 | 1 | 0.0 | 0.001 | 0.373 | (0;000) | ✗ | 30/01/17 |
| Na2AgSb | COD | 7209348 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.5506 | 0.615 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Na3AgS2 | COD | 1509476 | Ibam (72) | ✔ | 12 | 100 | 1 | 2.2573 | 2.527 | 0.000 | (0;000) | ✗ | 30/01/17 |
| K3Al2As3 | COD | 1518076 | P2_1/m (11) | ✔ | 16 | 96 | 1 | 1.3297 | 1.330 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Ba3(AlSi)2 | COD | 7221269 | Immm (71) | ✔ | 7 | 44 | 1 | 0.0 | 0.017 | 0.434 | (1;000) | ✗ | 30/01/17 |
| Ba3(AlSn)2 | COD | 7222229 | Immm (71) | ✔ | 7 | 64 | 1 | 0.0 | 0.036 | 0.481 | (1;111) | ✗ | 30/01/17 |
| K2Al2Sb2O7 | COD | 2010514 | P-3m1 (164) | ✔ | 13 | 76 | 1 | 3.4792 | 3.657 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Sr2FeO3 | ICSD | 251020 | Immm (71) | ✔ | 6 | 46 | 1 | 0.0 | 0.034 | 0.745 | (0;000) | ✗ | 27/01/17 |
| NaAl2Sb | COD | 9014095 | P6_3/mmc (194) | ✔ | 8 | 40 | 1 | 0.0 | 0.004 | 0.321 | (0;000) | ✗ | 30/01/17 |
| Sr(AlS2)2 | ICSD | 609259 | Cccm (66) | ✔ | 14 | 80 | 1 | 3.807 | 3.844 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Sr3(AlSn)2 | COD | 7222228 | Immm (71) | ✔ | 7 | 64 | 1 | 0.0 | 0.003 | 0.603 | (1;111) | ✗ | 30/01/17 |
| Sr | ICSD | 41236 | P6/mmm (191) | ✔ | 1 | 10 | 1 | 0.0 | 0.018 | 0.306 | (0;000) | ✗ | 27/01/17 |
| Ba4Al5 | ICSD | 420091 | P6_3/mmc (194) | ✔ | 18 | 110 | 1 | 0.0 | 0.000 | 0.599 | (0;000) | ✗ | 30/01/17 |