| ▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sr(Sb3Os)4 | ICSD | 658734 | Im3 (204) | ✔ | 17 | 134 | 3 | 0.0 | 0.014 | 0.624 | (0;000) | ✗ | 02/02/17 |
| Os | ICSD | 27568 | P2_1/c (14) | ✔ | 8 | 128 | 1 | 0.0 | 0.001 | 0.042 | (1;001) | ✗ | 02/02/17 |
| Sr3SiO | ICSD | 413384 | Pnma (62) | ✔ | 20 | 160 | 1 | 0.2124 | 0.212 | 0.000 | (0;000) | ✗ | 02/02/17 |
| P4Os | ICSD | 647710 | P-1 (2) | ✔ | 15 | 108 | 2 | 1.3925 | 1.534 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SbOsSe | ICSD | 647759 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.548 | 0.761 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SbTeOs | ICSD | 647762 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.5002 | 0.830 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Rb2Se3 | ICSD | 14093 | Ccm2_1 (36) | ✗ | 10 | 72 | 1 | 0.7189 | 0.828 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SbOsS | ICSD | 647751 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.4054 | 0.748 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TaP2 | ICSD | 648187 | C2/m (12) | ✔ | 6 | 46 | 3 | 0.0 | 0.128 | 0.155 | (0;001) | ✗ | 06/10/16 |
| Y3Os | ICSD | 647869 | Pnma (62) | ✔ | 16 | 196 | 3 | 0.0 | 0.000 | 0.327 | (0;110) | ✗ | 02/02/17 |
| YInPt | ICSD | 59504 | P-62m (189) | ✗ | 9 | 102 | 3 | 0.0 | 0.000 | 0.856 | ? | ✗ | 06/10/16 |
| LiCa2HC3 | ICSD | 261184 | P4/mbm (127) | ✔ | 14 | 72 | 1 | 1.2698 | 1.552 | 0.000 | (0;000) | ✗ | 27/01/17 |
| TaInS2 | ICSD | 640378 | P-6m2 (187) | ✗ | 4 | 38 | 3 | 0.0 | 0.012 | 0.418 | (1;100) | ✔ | 06/10/16 |
| P2Pt5 | ICSD | 24327 | C2/c (15) | ✔ | 14 | 120 | 3 | 0.0 | 0.057 | 0.437 | (0;110) | ✗ | 02/02/17 |
| P2S3 | ICSD | 423037 | P2_1/m (11) | ✔ | 20 | 112 | 1 | 2.2148 | 2.293 | 0.000 | (0;000) | ✗ | 02/02/17 |
| P2S7 | ICSD | 423062 | P-1 (2) | ✔ | 18 | 104 | 1 | 1.8252 | 1.896 | 0.000 | (0;000) | ✗ | 02/02/17 |
| P3Pd | ICSD | 647923 | Im3 (204) | ✔ | 16 | 132 | 3 | 0.0 | 0.000 | 0.611 | (0;111) | ✗ | 02/02/17 |
| Rb2P3 | ICSD | 654296 | Fmmm (69) | ✔ | 10 | 66 | 1 | 0.7411 | 0.741 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ReP3 | ICSD | 647985 | Pnma (62) | ✔ | 16 | 120 | 2 | 0.0531 | 0.109 | 0.000 | (0;000) | ✗ | 02/02/17 |
| P3Rh | ICSD | 647999 | Im3 (204) | ✔ | 16 | 128 | 3 | 0.0 | 0.000 | 0.161 | (1;000) | ✗ | 02/02/17 |
| P3Ru | ICSD | 62420 | P-1 (2) | ✔ | 16 | 124 | 3 | 1.1482 | 1.201 | 0.000 | (0;000) | ✗ | 02/02/17 |
| P4Ru | ICSD | 2492 | P-1 (2) | ✔ | 15 | 108 | 2 | 1.2877 | 1.485 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Mg2C3 | ICSD | 71941 | Pnnm (58) | ✔ | 10 | 64 | 3 | 1.6804 | 2.671 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrP3 | ICSD | 23628 | C2/m (12) | ✔ | 16 | 100 | 1 | 0.3599 | 0.360 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Zr5SbPb3 | ICSD | 604080 | P6_3/mcm (193) | ✔ | 18 | 134 | 3 | 0.0 | 0.000 | 0.567 | (0;000) | ✗ | 02/02/17 |
| C3N4 | ICSD | 41950 | P6_3/m (176) | ✔ | 14 | 64 | 3 | 3.2842 | 3.578 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Zr5Pb3Se | ICSD | 604205 | P6_3/mcm (193) | ✔ | 18 | 136 | 3 | 0.0 | 0.001 | 0.248 | (0;000) | ✗ | 02/02/17 |
| V8O | ICSD | 166600 | P4_2/mnm (136) | ✔ | 18 | 220 | 3 | 0.0 | 0.007 | 0.531 | (1;000) | ✗ | 02/02/17 |
| Zr5SiPb3 | ICSD | 604195 | P6_3/mcm (193) | ✔ | 18 | 132 | 3 | 0.0 | 0.001 | 0.630 | (0;000) | ✗ | 02/02/17 |
| Zr5SnPb3 | ICSD | 604193 | P6_3/mcm (193) | ✔ | 18 | 152 | 3 | 0.0 | 0.002 | 0.652 | (0;000) | ✗ | 02/02/17 |
| PbS | ICSD | 183240 | Cmcm (63) | ✔ | 4 | 40 | 2 | 1.2082 | 1.208 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr5Pb3 | ICSD | 648568 | I4/mcm (140) | ✔ | 16 | 184 | 1 | 0.0 | 0.029 | 0.622 | (0;000) | ✗ | 02/02/17 |
| CaCO3 | ICSD | 186773 | P-1 (2) | ✔ | 10 | 64 | 1 | 3.8372 | 3.837 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Zr5Pb3S | ICSD | 604197 | P6_3/mcm (193) | ✔ | 18 | 136 | 3 | 0.0 | 0.000 | 0.224 | (0;000) | ✗ | 02/02/17 |
| Zr5TePb3 | ICSD | 604081 | P6_3/mcm (193) | ✔ | 18 | 136 | 3 | 0.0 | 0.005 | 0.260 | (1;000) | ✗ | 02/02/17 |
| Y5Pb3 | ICSD | 648656 | P6_3/mcm (193) | ✔ | 16 | 194 | 3 | 0.0 | 0.000 | 0.821 | (0;000) | ✗ | 02/02/17 |
| TaInS2 | ICSD | 74703 | P-6m2 (187) | ✗ | 4 | 38 | 3 | 0.0 | 0.042 | 0.397 | (1;100) | ✔ | 06/10/16 |
| PtPb4 | ICSD | 648397 | P4/nbm (125) | ✔ | 10 | 132 | 3 | 0.0 | 0.021 | 0.618 | (1;000) | ✗ | 02/02/17 |
| Nb4C3 | ICSD | 42758 | Pm-3m (221) | ✔ | 7 | 64 | 3 | 0.0 | 0.018 | 0.594 | (1;111) | ✗ | 27/01/17 |
| SnPbS3 | ICSD | 648477 | Pnma (62) | ✔ | 20 | 184 | 2 | 0.876 | 0.925 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZrPbS3 | ICSD | 2439 | Pnma (62) | ✔ | 20 | 144 | 3 | 0.958 | 0.958 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZrTl2PbS4 | ICSD | 237507 | C2/c (15) | ✔ | 16 | 136 | 3 | 0.5808 | 1.368 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ta3PbS6 | ICSD | 74693 | P6_3/mcm (193) | ✔ | 20 | 178 | 3 | 0.0 | 0.000 | 0.954 | (0;000) | ✗ | 02/02/17 |
| Tl4PbSe3 | ICSD | 648545 | I4/mcm (140) | ✔ | 16 | 168 | 3 | 0.0 | 0.016 | 0.044 | (0;000) | ✗ | 02/02/17 |
| ZrTl2PbSe4 | ICSD | 237508 | C2/c (15) | ✔ | 16 | 136 | 3 | 0.0 | 0.930 | 0.030 | (0;000) | ✗ | 02/02/17 |
| TlInS2 | ICSD | 640393 | P-6m2 (187) | ✗ | 8 | 76 | 3 | 0.0 | 0.232 | 0.283 | ? | ✗ | 06/10/16 |
| Hg(C2F3)2 | ICSD | 165635 | P-1 (2) | ✔ | 11 | 70 | 1 | 3.4881 | 3.797 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Tl4Te3Pb | ICSD | 648621 | I4/mcm (140) | ✔ | 16 | 168 | 3 | 0.0 | 0.040 | 0.020 | (0;000) | ✗ | 02/02/17 |
| TePb | ICSD | 648609 | Pnma (62) | ✔ | 8 | 80 | 2 | 0.0 | 0.146 | 0.014 | (0;000) | ✗ | 02/02/17 |
| Sr(SbPd)2 | ICSD | 61194 | P4/nmm (129) | ✔ | 10 | 112 | 3 | 0.0 | 0.011 | 0.794 | (0;000) | ✗ | 02/02/17 |
| TlPd2Se3 | ICSD | 78786 | P-3m1 (164) | ✔ | 12 | 134 | 3 | 0.0 | 0.223 | 0.134 | (0;000) | ✗ | 02/02/17 |
| Y3Si3Pd2 | ICSD | 35086 | Cmcm (63) | ✔ | 16 | 162 | 3 | 0.0 | 0.000 | 0.928 | (0;110) | ✗ | 02/02/17 |
| YSiPd2 | ICSD | 35087 | Pnma (62) | ✔ | 16 | 204 | 3 | 0.0 | 0.001 | 0.403 | (0;101) | ✗ | 02/02/17 |
| TlPd2 | ICSD | 649055 | Pnma (62) | ✔ | 12 | 196 | 3 | 0.0 | 0.002 | 0.554 | (0;011) | ✗ | 02/02/17 |
| Rb2Pd3S4 | ICSD | 41886 | C2/m (12) | ✔ | 9 | 96 | 1 | 1.1446 | 1.318 | 0.000 | (0;000) | ✗ | 02/02/17 |
| YPd3S4 | ICSD | 648764 | Pm-3n (223) | ✔ | 16 | 178 | 3 | 0.0 | 0.000 | 0.649 | (0;000) | ✗ | 02/02/17 |
| BN | ICSD | 162883 | P2_1/c (14) | ✔ | 8 | 32 | 2 | 3.1457 | 3.540 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SiPd3 | ICSD | 43702 | Pnma (62) | ✔ | 16 | 232 | 3 | 0.0 | 0.036 | 0.113 | (0;000) | ✗ | 02/02/17 |
| TiPd3 | ICSD | 649049 | P6_3/mmc (194) | ✔ | 16 | 264 | 3 | 0.0 | 0.001 | 0.361 | (0;000) | ✗ | 02/02/17 |
| InCl | ICSD | 2431 | Cc2m (40) | ✗ | 4 | 40 | 1 | 1.4421 | 1.528 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Y3Pd4 | ICSD | 649109 | R-3 (148) | ✔ | 14 | 210 | 3 | 0.0 | 0.001 | 0.587 | (1;111) | ✗ | 02/02/17 |
| Zr3Pd4 | ICSD | 186415 | R-3 (148) | ✔ | 14 | 168 | 3 | 0.0 | 0.000 | 0.709 | (1;000) | ✗ | 02/02/17 |
| Pd7Se2 | ICSD | 65052 | P2_1/c (14) | ✔ | 18 | 276 | 3 | 0.0 | 0.020 | 0.383 | (1;010) | ✗ | 02/02/17 |
| Rb2Pd | ICSD | 20675 | C2/m (12) | ✔ | 3 | 36 | 1 | 0.0 | 0.021 | 0.605 | (1;000) | ✗ | 02/02/17 |
| Rb2Te | ICSD | 55148 | Cmc2_1 (36) | ✗ | 6 | 48 | 2 | 1.7077 | 1.708 | 0.000 | (0;000) | ✗ | 06/10/16 |
| VS | ICSD | 52212 | Pnma (62) | ✔ | 8 | 76 | 3 | 0.0 | 0.001 | 0.771 | (0;011) | ✗ | 27/01/17 |
| TlInS2 | ICSD | 654688 | P6_3/mmc (194) | ✔ | 8 | 76 | 2 | 0.4358 | 1.181 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Y2FeC4 | ICSD | 617900 | Ibam (72) | ✔ | 14 | 92 | 3 | 0.0 | 0.045 | 0.299 | (0;000) | ✗ | 27/01/17 |
| Tl2PdSe2 | ICSD | 79601 | Pbam (55) | ✔ | 10 | 112 | 3 | 0.0 | 0.318 | 0.215 | (0;000) | ✗ | 02/02/17 |
| PdSe | ICSD | 77895 | P4_2/m (84) | ✔ | 16 | 192 | 3 | 0.0 | 0.017 | 0.120 | (0;000) | ✗ | 02/02/17 |
| TaInSe2 | ICSD | 640520 | P-6m2 (187) | ✗ | 4 | 38 | 3 | 0.0 | 0.006 | 0.346 | (0;000) | ✔ | 06/10/16 |
| Sc3IrC4 | ICSD | 415137 | Immm (71) | ✔ | 8 | 66 | 3 | 0.0 | 0.024 | 0.504 | (1;111) | ✗ | 27/01/17 |
| Sc3IrC4 | ICSD | 657402 | Immm (71) | ✔ | 8 | 66 | 3 | 0.0 | 0.020 | 0.462 | (1;111) | ✗ | 27/01/17 |
| PbS | ICSD | 183241 | Pmnb (62) | ✔ | 8 | 80 | 2 | 0.9413 | 0.962 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Y3Pd | ICSD | 649111 | Pnma (62) | ✔ | 16 | 204 | 3 | 0.0 | 0.000 | 0.261 | (0;110) | ✗ | 02/02/17 |
| YZnPd | ICSD | 183334 | Pnma (62) | ✔ | 12 | 164 | 3 | 0.0 | 0.002 | 0.947 | (0;011) | ✗ | 02/02/17 |
| P | ICSD | 154318 | C2/m (12) | ✔ | 8 | 40 | 1 | 2.6998 | 3.134 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Zn(InS2)2 | ICSD | 15636 | R3m (160) | ✗ | 7 | 62 | 2 | 0.0 | 0.019 | 0.068 | (1;000) | ✔ | 06/10/16 |
| Sc3RhC4 | ICSD | 657400 | Immm (71) | ✔ | 8 | 66 | 3 | 0.0 | 0.009 | 0.520 | (1;111) | ✗ | 27/01/17 |
| Zr5PPb3 | ICSD | 604196 | P6_3/mcm (193) | ✔ | 18 | 134 | 3 | 0.0 | 0.000 | 0.729 | (0;000) | ✗ | 02/02/17 |
| PPb | ICSD | 40162 | P2_1/c (14) | ✔ | 16 | 152 | 1 | 0.0 | 0.008 | 0.483 | (0;111) | ✗ | 02/02/17 |
| PPbS3 | ICSD | 647906 | P2_1/c (14) | ✔ | 20 | 148 | 3 | 1.9505 | 1.962 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PPbSe3 | ICSD | 62230 | P2_1/c (14) | ✔ | 20 | 148 | 3 | 1.4514 | 1.517 | 0.000 | (0;000) | ✗ | 02/02/17 |
| PPd3 | ICSD | 647918 | Pnma (62) | ✔ | 16 | 236 | 3 | 0.0 | 0.001 | 0.696 | (0;110) | ✗ | 02/02/17 |
| ScPPt | ICSD | 417911 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.023 | 0.108 | (1;000) | ✗ | 02/02/17 |
| RbPS3 | ICSD | 416176 | Immm (71) | ✔ | 10 | 64 | 1 | 1.759 | 1.775 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SnPS3 | ICSD | 648056 | C2/m (12) | ✔ | 10 | 74 | 2 | 0.0 | 0.016 | 0.440 | (0;000) | ✗ | 02/02/17 |
| SnPS3 | ICSD | 72835 | P2_1/c (14) | ✔ | 20 | 148 | 3 | 1.6984 | 1.832 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrPS3 | ICSD | 405191 | P2_1/c (14) | ✔ | 20 | 132 | 1 | 3.1418 | 3.142 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlPS3 | ICSD | 658902 | Immm (71) | ✔ | 10 | 72 | 1 | 1.7134 | 1.720 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ScPS4 | ICSD | 67559 | P-1 (2) | ✔ | 12 | 80 | 2 | 1.8147 | 1.862 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Ca4Ni3C5 | ICSD | 71440 | C2/m (12) | ✔ | 12 | 90 | 2 | 0.0 | 0.047 | 0.184 | (0;000) | ✗ | 27/01/17 |
| Zr5Sb3P | ICSD | 648093 | P6_3/mcm (193) | ✔ | 18 | 80 | 3 | 0.0 | 0.000 | 0.817 | (0;000) | ✗ | 02/02/17 |
| SnPSe3 | ICSD | 655564 | P2_1/c (14) | ✔ | 20 | 148 | 3 | 1.3154 | 1.357 | 0.000 | (0;000) | ✗ | 02/02/17 |
| SrPSe3 | ICSD | 412766 | P2_1/c (14) | ✔ | 20 | 132 | 1 | 2.2293 | 2.229 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Zr5Sn3P | ICSD | 656295 | P6_3/mcm (193) | ✔ | 18 | 134 | 3 | 0.0 | 0.000 | 0.681 | (0;000) | ✗ | 02/02/17 |
| ScAl | ICSD | 609299 | Pm-3m (221) | ✔ | 2 | 14 | 3 | 0.0 | 0.031 | 0.347 | (1;111) | ✗ | 05/01/17 |
| Nb6C5 | ICSD | 167353 | C2/m (12) | ✔ | 11 | 98 | 3 | 0.0 | 0.012 | 0.610 | (0;110) | ✗ | 27/01/17 |
| Si5Pt12 | ICSD | 77977 | I4/m (87) | ✔ | 17 | 140 | 3 | 0.0 | 0.006 | 0.679 | (1;111) | ✗ | 02/02/17 |
| RbPt2Se3 | ICSD | 69439 | R-3m (166) | ✔ | 12 | 94 | 2 | 0.8141 | 0.814 | 0.000 | (0;000) | ✗ | 02/02/17 |