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| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| AuCN | ICSD | 165175 | P6mm (183) | ✗ | 3 | 20 | 3 | 0.9094 | 1.164 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SiPd | COD | 1527349 | Pnma (62) | ✔ | 8 | 88 | 3 | 0.0 | 0.027 | 0.394 | (0;000) | ✗ | 27/01/17 |
| NbFeAs | ICSD | 610502 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.016 | 0.128 | (0;000) | ✗ | 05/01/17 |
| AuCN | ICSD | 85782 | P6mm (183) | ✗ | 3 | 20 | 3 | 0.0 | 0.999 | 0.053 | (0;000) | ✔ | 06/10/16 |
| Sn3Pd | COD | 9009821 | Pm-3m (221) | ✔ | 4 | 60 | 3 | 0.0 | 0.005 | 0.622 | (0;000) | ✗ | 27/01/17 |
| FeAsS | COD | 1010913 | P2_1/c (14) | ✔ | 12 | 76 | 3 | 0.1573 | 0.372 | 0.000 | (0;000) | ✗ | 05/01/17 |
| SnPd | COD | 9008938 | Pnma (62) | ✔ | 8 | 128 | 3 | 0.0 | 0.010 | 0.379 | (0;000) | ✗ | 27/01/17 |
| TaFeAs | ICSD | 610528 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.025 | 0.154 | (0;000) | ✗ | 05/01/17 |
| SrFeAsF | ICSD | 162808 | P4/nmm (129) | ✔ | 8 | 60 | 1 | 0.0 | 0.010 | 0.451 | (0;000) | ✗ | 05/01/17 |
| TePd | COD | 9008909 | P6_3/mmc (194) | ✔ | 4 | 48 | 3 | 0.0 | 0.000 | 0.424 | (0;000) | ✗ | 27/01/17 |
| InCl | ICSD | 2430 | Cmcm (63) | ✔ | 4 | 40 | 1 | 1.443 | 1.529 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaCO3 | ICSD | 158389 | R3m (160) | ✗ | 5 | 32 | 1 | 3.7206 | 3.786 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SrZnAsF | ICSD | 189934 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.5984 | 0.598 | 0.000 | (0;000) | ✗ | 05/01/17 |
| BaCO3 | ICSD | 158390 | R3m (160) | ✗ | 5 | 32 | 1 | 3.7237 | 3.789 | 0.000 | (0;000) | ✗ | 06/10/16 |
| V3Pd | COD | 1523039 | Pm-3n (223) | ✔ | 8 | 114 | 3 | 0.0 | 0.000 | 0.629 | (0;000) | ✗ | 27/01/17 |
| Na2Cl | ICSD | 190546 | Cmmm (65) | ✔ | 6 | 50 | 3 | 0.0 | 0.508 | 0.159 | (0;000) | ✗ | 06/10/16 |
| InAsH2O5 | COD | 2015029 | P-1 (2) | ✔ | 18 | 100 | 3 | 2.7601 | 2.844 | 0.000 | (0;000) | ✗ | 05/01/17 |
| MnAsH2O5 | ICSD | 71164 | C2/c (15) | ✔ | 18 | 104 | 3 | 0.0 | 0.014 | 0.135 | (0;000) | ✗ | 05/01/17 |
| CaCO3 | ICSD | 161820 | C222_1 (20) | ✗ | 10 | 64 | 3 | 5.1926 | 5.193 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KHgAs | COD | 7221177 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0686 | 0.093 | 0.000 | (0;000) | ✗ | 05/01/17 |
| GeC | ICSD | 182363 | F-43m (216) | ✗ | 2 | 8 | 3 | 1.5913 | 3.553 | 0.000 | (0;000) | ✗ | 06/10/16 |
| PPdS3 | ICSD | 647926 | C2/m (12) | ✔ | 10 | 82 | 2 | 0.0 | 0.012 | 0.185 | (0;000) | ✗ | 27/01/17 |
| TlPPt5 | ICSD | 647975 | P4/mmm (123) | ✔ | 7 | 68 | 3 | 0.0 | 0.002 | 0.520 | (0;000) | ✗ | 27/01/17 |
| MgO | ICSD | 166273 | P-6m2 (187) | ✗ | 2 | 16 | 3 | 2.2858 | 2.517 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TlCl | ICSD | 109143 | Cmcm (63) | ✔ | 4 | 40 | 1 | 2.1142 | 2.114 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaCO3 | ICSD | 180348 | R-3c (167) | ✔ | 10 | 64 | 2 | 5.0647 | 5.184 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AsHPbO4 | ICSD | 29552 | P2/c (13) | ✔ | 14 | 88 | 3 | 2.9786 | 2.979 | 0.000 | (0;000) | ✗ | 05/01/17 |
| PRuSe | ICSD | 648028 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.5164 | 0.893 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PRuS | ICSD | 648023 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.5007 | 0.858 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CaCO3 | ICSD | 180349 | R-3c (167) | ✔ | 10 | 64 | 2 | 5.1604 | 5.214 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CrCl2 | ICSD | 15467 | Pmnn (58) | ✔ | 6 | 56 | 1 | 0.0 | 0.015 | 0.396 | (0;000) | ✗ | 06/10/16 |
| SnPS3 | ICSD | 648055 | R-3 (148) | ✔ | 10 | 74 | 2 | 0.0 | 0.207 | 0.338 | (0;000) | ✗ | 27/01/17 |
| VPS3 | ICSD | 648076 | C2/m (12) | ✔ | 10 | 72 | 2 | 0.1508 | 0.195 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZnPS3 | ICSD | 648084 | C2/m (12) | ✔ | 10 | 70 | 2 | 1.9444 | 2.418 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Zr2SbP | ICSD | 77797 | P6_3/mmc (194) | ✔ | 8 | 36 | 3 | 0.0 | 0.016 | 0.417 | (0;000) | ✗ | 27/01/17 |
| ScP | COD | 2310238 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 0.0 | 0.267 | 0.203 | (0;000) | ✗ | 27/01/17 |
| SrSnP | ICSD | 63594 | P4/nmm (129) | ✔ | 6 | 58 | 2 | 0.0 | 0.000 | 0.832 | (0;000) | ✗ | 27/01/17 |
| TaPS | ICSD | 648183 | Immm (71) | ✔ | 6 | 48 | 3 | 0.0 | 0.050 | 0.506 | (0;000) | ✗ | 27/01/17 |
| CdCN2 | ICSD | 95265 | R3m (160) | ✗ | 4 | 26 | 3 | 2.021 | 2.021 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Y(SiPt)2 | ICSD | 649646 | P4/nmm (129) | ✔ | 10 | 78 | 3 | 0.0 | 0.000 | 0.966 | (0;000) | ✗ | 27/01/17 |
| KLi2As | ICSD | 78938 | Pmmn (59) | ✔ | 8 | 40 | 1 | 0.7738 | 0.774 | 0.000 | (0;000) | ✗ | 05/01/17 |
| SiPt2 | ICSD | 77973 | I4/mmm (139) | ✔ | 3 | 24 | 3 | 0.0 | 0.138 | 0.700 | (0;000) | ✗ | 27/01/17 |
| YSnPt2 | ICSD | 649701 | P6_3/mmc (194) | ✔ | 8 | 90 | 3 | 0.0 | 0.000 | 0.906 | (0;000) | ✗ | 27/01/17 |
| SrPt2 | ICSD | 108148 | Fd-3m (227) | ✔ | 6 | 60 | 3 | 0.0 | 0.004 | 0.478 | (0;000) | ✗ | 27/01/17 |
| CClF3 | ICSD | 49696 | Ccm2_1 (36) | ✗ | 10 | 64 | 1 | 6.6335 | 6.643 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KMgAs | ICSD | 610753 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 1.1304 | 1.165 | 0.000 | (0;000) | ✗ | 05/01/17 |
| YPt2 | COD | 1523663 | Fd-3m (227) | ✔ | 6 | 62 | 3 | 0.0 | 0.000 | 0.339 | (0;000) | ✗ | 27/01/17 |
| MgP4 | ICSD | 113 | P2_1/c (14) | ✔ | 10 | 60 | 1 | 0.6744 | 0.674 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MgCl2 | ICSD | 51244 | Pmmb (51) | ✔ | 6 | 48 | 2 | 0.0 | 0.007 | 0.196 | (0;000) | ✗ | 06/10/16 |
| C(ClF)2 | ICSD | 33946 | F2dd (43) | ✗ | 10 | 64 | 1 | 5.5318 | 5.537 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TaPt3 | COD | 1523694 | Pmmn (59) | ✔ | 8 | 86 | 3 | 0.0 | 0.000 | 0.818 | (0;000) | ✗ | 27/01/17 |
| KZnAs | COD | 7221178 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.2879 | 0.288 | 0.000 | (0;000) | ✗ | 05/01/17 |
| ZnPt3 | COD | 1522607 | Pm-3m (221) | ✔ | 4 | 42 | 3 | 0.0 | 0.076 | 0.406 | (0;000) | ✗ | 27/01/17 |
| Li3As | COD | 1010288 | P6_3/mmc (194) | ✔ | 8 | 28 | 1 | 0.7732 | 1.714 | 0.000 | (0;000) | ✗ | 05/01/17 |
| C(ClF)2 | ICSD | 33947 | F2dd (43) | ✗ | 10 | 64 | 1 | 5.63 | 5.635 | 0.000 | (0;000) | ✗ | 06/10/16 |
| TiPt8 | COD | 1522696 | I4/mmm (139) | ✔ | 9 | 92 | 3 | 0.0 | 0.005 | 0.901 | (0;000) | ✗ | 27/01/17 |
| LiAsO3 | COD | 1529820 | R-3 (148) | ✔ | 10 | 52 | 1 | 4.0057 | 4.210 | 0.000 | (0;000) | ✗ | 05/01/17 |
| MgCl2 | ICSD | 51247 | P-1 (2) | ✔ | 6 | 48 | 3 | 2.4906 | 2.491 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Pt | COD | 1101019 | Fm-3m (225) | ✔ | 1 | 10 | 3 | 0.0 | 0.000 | 0.575 | (0;000) | ✗ | 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 |
| Rb2Te2Pt | ICSD | 649525 | Immm (71) | ✔ | 5 | 40 | 1 | 0.8933 | 1.288 | 0.000 | (0;000) | ✗ | 27/01/17 |
| PtS2 | COD | 5910085 | P-3m1 (164) | ✔ | 3 | 22 | 2 | 0.4919 | 1.185 | 0.000 | (0;000) | ✗ | 27/01/17 |
| C(ClF)2 | ICSD | 33948 | F2dd (43) | ✗ | 10 | 64 | 1 | 5.7375 | 5.742 | 0.000 | (0;000) | ✗ | 06/10/16 |
| LiAsSe2 | COD | 4102048 | P-1 (2) | ✔ | 8 | 40 | 1 | 0.0 | 0.097 | 0.008 | (0;000) | ✗ | 05/01/17 |
| NaMgAs | COD | 9008321 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 0.9367 | 0.937 | 0.000 | (0;000) | ✗ | 05/01/17 |
| PtSe2 | COD | 9009117 | P-3m1 (164) | ✔ | 3 | 22 | 2 | 0.0 | 0.886 | 0.144 | (0;000) | ✗ | 27/01/17 |
| CIN | ICSD | 77911 | R3m (160) | ✗ | 3 | 16 | 1 | 3.8512 | 3.926 | 0.000 | (0;000) | ✗ | 06/10/16 |
| SiPt | COD | 9008940 | Pnma (62) | ✔ | 8 | 56 | 3 | 0.0 | 0.114 | 0.301 | (0;000) | ✗ | 27/01/17 |
| HC | ICSD | 187642 | I2_13 (199) | ✗ | 8 | 20 | 3 | 4.8022 | 6.465 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MgS | ICSD | 159401 | F-43m (216) | ✗ | 2 | 16 | 3 | 3.3139 | 3.314 | 0.000 | (0;000) | ✗ | 06/10/16 |
| PdCl2 | ICSD | 30209 | Pmnn (58) | ✔ | 6 | 48 | 1 | 0.7678 | 1.190 | 0.000 | (0;000) | ✗ | 06/10/16 |
| KCN | ICSD | 173942 | Cc (9) | ✗ | 6 | 36 | 1 | 5.131 | 5.273 | 0.000 | (0;000) | ✗ | 06/10/16 |
| PtS | COD | 1011334 | P4_2/mmc (131) | ✔ | 4 | 32 | 3 | 0.4074 | 0.407 | 0.000 | (0;000) | ✗ | 27/01/17 |
| MnNiAs | ICSD | 610884 | Pnma (62) | ✔ | 12 | 120 | 3 | 0.0 | 0.002 | 0.449 | (0;000) | ✗ | 05/01/17 |
| TePt | COD | 1523756 | P6_3/mmc (194) | ✔ | 4 | 32 | 3 | 0.0 | 0.034 | 0.412 | (0;000) | ✗ | 27/01/17 |
| KCN | ICSD | 27350 | Cm (8) | ✗ | 3 | 18 | 1 | 4.9473 | 5.716 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MnAs | COD | 2310698 | Pnma (62) | ✔ | 8 | 80 | 3 | 0.0 | 0.017 | 0.497 | (0;000) | ✗ | 05/01/17 |
| KCN | ICSD | 27351 | Cm (8) | ✗ | 3 | 18 | 1 | 4.6894 | 5.539 | 0.000 | (0;000) | ✗ | 06/10/16 |
| V3Pt | COD | 1523723 | Pm-3n (223) | ✔ | 8 | 98 | 3 | 0.0 | 0.000 | 0.512 | (0;000) | ✗ | 27/01/17 |
| RbMnAs | COD | 1521904 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.838 | (0;000) | ✗ | 05/01/17 |
| ZnPt | COD | 1522602 | P4/mmm (123) | ✔ | 2 | 22 | 3 | 0.0 | 0.008 | 0.481 | (0;000) | ✗ | 27/01/17 |
| KCN | ICSD | 27352 | Cm (8) | ✗ | 3 | 18 | 1 | 5.6021 | 6.193 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MgSe | ICSD | 159398 | F-43m (216) | ✗ | 2 | 16 | 3 | 2.3963 | 2.396 | 0.000 | (0;000) | ✗ | 06/10/16 |
| VP | COD | 9008921 | P6_3/mmc (194) | ✔ | 4 | 36 | 3 | 0.0 | 0.000 | 0.214 | (0;000) | ✗ | 27/01/17 |
| YP | ICSD | 77857 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 0.0 | 0.189 | 0.173 | (0;000) | ✗ | 27/01/17 |
| Rb2Se | ICSD | 168449 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 1.8007 | 2.127 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZrP | ICSD | 77860 | P6_3/mmc (194) | ✔ | 8 | 36 | 3 | 0.0 | 0.011 | 0.588 | (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 |
| Rb2Te | ICSD | 55135 | Fm-3m (225) | ✔ | 3 | 24 | 3 | 2.2267 | 2.602 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbScS2 | COD | 2020008 | R-3m (166) | ✔ | 4 | 32 | 2 | 1.7063 | 2.455 | 0.000 | (0;000) | ✗ | 27/01/17 |
| RbYS2 | COD | 2105804 | R-3m (166) | ✔ | 4 | 32 | 2 | 2.2654 | 2.916 | 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 |
| PoCl2 | ICSD | 26650 | Pmmm (47) | ✔ | 3 | 30 | 3 | 0.0 | 0.728 | 0.398 | (0;000) | ✗ | 06/10/16 |
| SiRh2 | ICSD | 43337 | Pnma (62) | ✔ | 12 | 152 | 3 | 0.0 | 0.011 | 0.292 | (0;000) | ✗ | 27/01/17 |
| SnRh2 | COD | 1522864 | Pnma (62) | ✔ | 12 | 192 | 3 | 0.0 | 0.015 | 0.364 | (0;000) | ✗ | 27/01/17 |
| SrRh2 | COD | 1523824 | Fd-3m (227) | ✔ | 6 | 88 | 3 | 0.0 | 0.001 | 0.615 | (0;000) | ✗ | 27/01/17 |
| K4CO4 | ICSD | 245417 | P-43m (215) | ✗ | 9 | 64 | 3 | 2.878 | 2.878 | 0.000 | (0;000) | ✗ | 06/10/16 |
| YRh2 | COD | 1523667 | Fd-3m (227) | ✔ | 6 | 90 | 3 | 0.0 | 0.000 | 0.574 | (0;000) | ✗ | 27/01/17 |