| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Sc2Ni2Sn | ICSD | 658917 | P4/mbm (127) | ✔ | 10 | 112 | 3 | 0.0 | 0.002 | 0.732 | (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 |
| Zr(SiNi)2 | COD | 1530965 | I4/mmm (139) | ✔ | 5 | 32 | 3 | 0.0 | 0.007 | 0.543 | (0;000) | ✗ | 27/01/17 |
| SiNi2 | COD | 1523551 | P6_3/mmc (194) | ✔ | 6 | 48 | 3 | 0.0 | 0.001 | 0.711 | (0;000) | ✗ | 27/01/17 |
| SiNi2 | COD | 9009210 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.030 | 0.453 | (0;000) | ✗ | 27/01/17 |
| FeBr3 | ICSD | 410924 | R-3 (148) | ✔ | 8 | 58 | 2 | 0.0 | 0.010 | 0.479 | (0;000) | ✗ | 02/02/17 |
| FeBr3 | ICSD | 76421 | R-3 (148) | ✔ | 8 | 58 | 2 | 0.0 | 0.026 | 0.272 | (0;000) | ✗ | 06/10/16 |
| Ba(MgAs)2 | ICSD | 30916 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 0.9654 | 1.350 | 0.000 | (0;000) | ✗ | 05/01/17 |
| InSe | ICSD | 1884 | R3m (160) | ✗ | 4 | 38 | 2 | 0.4229 | 0.424 | 0.000 | (0;000) | ✔ | 06/10/16 |
| YNi2 | ICSD | 647087 | Fd-3m (227) | ✔ | 6 | 62 | 3 | 0.0 | 0.000 | 0.400 | (0;000) | ✗ | 27/01/17 |
| ZrNi2 | COD | 1523432 | Fd-3m (227) | ✔ | 6 | 48 | 3 | 0.0 | 0.000 | 0.403 | (0;000) | ✗ | 27/01/17 |
| RbCd(NO2)3 | COD | 1010353 | Pm3 (200) | ✔ | 11 | 72 | 3 | 0.0 | 0.000 | 0.896 | (0;000) | ✗ | 27/01/17 |
| LaBr3 | ICSD | 31581 | P2_1/m (11) | ✔ | 8 | 48 | 3 | 3.1889 | 3.189 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ni3Pt | ICSD | 151193 | Pm-3m (221) | ✔ | 4 | 40 | 3 | 0.0 | 0.000 | 0.631 | (0;000) | ✗ | 27/01/17 |
| Rb2Ni3S4 | ICSD | 646311 | Fmmm (69) | ✔ | 9 | 72 | 1 | 0.4636 | 0.610 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CdGe2O5 | ICSD | 23039 | P-1 (2) | ✔ | 16 | 100 | 3 | 1.8665 | 2.017 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KCd(NO2)3 | COD | 1010352 | Pm3 (200) | ✔ | 11 | 72 | 3 | 0.0 | 0.000 | 0.819 | (0;000) | ✗ | 27/01/17 |
| InSe | ICSD | 32714 | C2/m (12) | ✔ | 4 | 38 | 2 | 1.1651 | 1.346 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BaAs2Pt | ICSD | 405112 | Cmcm (63) | ✔ | 8 | 60 | 3 | 0.0 | 0.025 | 0.569 | (0;000) | ✗ | 05/01/17 |
| Ba(ZnAs)2 | ICSD | 417000 | I4/mmm (139) | ✔ | 5 | 44 | 2 | 0.0 | 0.099 | 0.151 | (0;000) | ✗ | 05/01/17 |
| GaAs | ICSD | 107946 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.4268 | 0.427 | 0.000 | (0;000) | ✔ | 06/10/16 |
| Ni3Se4 | COD | 9009245 | C2/m (12) | ✔ | 7 | 54 | 3 | 0.0 | 0.041 | 0.597 | (0;000) | ✗ | 27/01/17 |
| Ca(BeAs)2 | ICSD | 609867 | P-3m1 (164) | ✔ | 5 | 28 | 1 | 0.6261 | 1.262 | 0.000 | (0;000) | ✗ | 05/01/17 |
| SiNi3 | ICSD | 646585 | Pnma (62) | ✔ | 16 | 136 | 3 | 0.0 | 0.014 | 0.306 | (0;000) | ✗ | 27/01/17 |
| Mg(BeAs)2 | ICSD | 609872 | P-3m1 (164) | ✔ | 5 | 28 | 1 | 0.2659 | 2.239 | 0.000 | (0;000) | ✗ | 05/01/17 |
| SeBr | ICSD | 37019 | Cc2e (41) | ✗ | 8 | 52 | 1 | 1.6226 | 1.760 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ni3Sn | COD | 1522848 | Fm-3m (225) | ✔ | 4 | 44 | 3 | 0.0 | 0.002 | 0.714 | (0;000) | ✗ | 27/01/17 |
| Ca2As2O7 | ICSD | 32602 | C2/m (12) | ✔ | 11 | 72 | 1 | 4.0716 | 4.136 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Ca4As2O | ICSD | 68203 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 1.1166 | 1.325 | 0.000 | (0;000) | ✗ | 05/01/17 |
| TaNi3 | COD | 1522734 | Pmmn (59) | ✔ | 8 | 86 | 3 | 0.0 | 0.000 | 0.815 | (0;000) | ✗ | 27/01/17 |
| LiCd | ICSD | 102008 | Fd-3m (227) | ✔ | 4 | 30 | 3 | 0.0 | 0.000 | 0.838 | (0;000) | ✗ | 27/01/17 |
| ZrNi3 | COD | 1523228 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 0.0 | 0.001 | 0.335 | (0;000) | ✗ | 27/01/17 |
| NbBr5 | ICSD | 409917 | P-1 (2) | ✔ | 12 | 96 | 1 | 0.1833 | 0.196 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Ca(CdAs)2 | COD | 7221220 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.2066 | 0.207 | 0.000 | (0;000) | ✗ | 05/01/17 |
| InSe | ICSD | 640503 | P-6m2 (187) | ✗ | 8 | 76 | 2 | 0.6264 | 0.626 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li2CdPb | COD | 1525238 | Fm-3m (225) | ✔ | 4 | 32 | 3 | 0.0 | 0.000 | 0.584 | (0;000) | ✗ | 27/01/17 |
| WBr6 | ICSD | 62048 | R-3 (148) | ✔ | 7 | 56 | 1 | 0.6302 | 0.630 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NiO2 | COD | 1522025 | C2/m (12) | ✔ | 3 | 22 | 2 | 0.9834 | 1.142 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NiO2 | COD | 9016308 | P-3m1 (164) | ✔ | 3 | 22 | 2 | 0.5221 | 0.662 | 0.000 | (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 |
| Ca(MgAs)2 | COD | 7221199 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 1.1991 | 1.610 | 0.000 | (0;000) | ✗ | 05/01/17 |
| NiSeO4 | ICSD | 25700 | Cmcm (63) | ✔ | 12 | 80 | 3 | 0.0 | 0.010 | 0.279 | (0;000) | ✗ | 27/01/17 |
| NiSO4 | COD | 2310652 | Cmcm (63) | ✔ | 12 | 80 | 3 | 0.0 | 0.010 | 0.096 | (0;000) | ✗ | 27/01/17 |
| Sr2NiOsO6 | ICSD | 152442 | I4/m (87) | ✔ | 10 | 82 | 3 | 0.0 | 0.014 | 0.265 | (0;000) | ✗ | 27/01/17 |
| Ni(SbO3)2 | ICSD | 80802 | P4_2/mnm (136) | ✔ | 18 | 112 | 3 | 0.0 | 0.011 | 0.339 | (0;000) | ✗ | 27/01/17 |
| Sr2NiTeO6 | ICSD | 16225 | C2/m (12) | ✔ | 10 | 72 | 3 | 0.0 | 0.007 | 0.430 | (0;000) | ✗ | 27/01/17 |
| Sr2NiWO6 | ICSD | 109165 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 0.0 | 0.000 | 0.368 | (0;000) | ✗ | 27/01/17 |
| Li2CdGe | ICSD | 52803 | Fm-3m (225) | ✔ | 4 | 22 | 3 | 0.0 | 0.000 | 0.515 | (0;000) | ✗ | 27/01/17 |
| Ni | COD | 9013034 | Fm-3m (225) | ✔ | 1 | 10 | 3 | 0.0 | 0.000 | 0.579 | (0;000) | ✗ | 27/01/17 |
| NiO | COD | 4320490 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 0.0 | 0.000 | 0.631 | (0;000) | ✗ | 27/01/17 |
| InBr3 | ICSD | 65198 | C2/m (12) | ✔ | 8 | 68 | 2 | 2.6722 | 2.697 | 0.000 | (0;000) | ✗ | 02/02/17 |
| NiP2 | COD | 1526196 | C2/c (15) | ✔ | 6 | 40 | 3 | 0.5308 | 0.614 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NiP2 | COD | 9012503 | Pa3 (205) | ✔ | 12 | 80 | 3 | 0.0 | 0.443 | 0.107 | (0;000) | ✗ | 27/01/17 |
| Zr2NiP2 | ICSD | 646195 | P6_3/mmc (194) | ✔ | 10 | 56 | 3 | 0.0 | 0.004 | 0.299 | (0;000) | ✗ | 27/01/17 |
| Co2C | ICSD | 16895 | Pmnn (58) | ✔ | 6 | 44 | 3 | 0.0 | 0.023 | 0.344 | (0;000) | ✗ | 06/10/16 |
| Ca(AsO3)2 | ICSD | 81064 | P-31m (162) | ✔ | 9 | 56 | 2 | 3.8558 | 4.178 | 0.000 | (0;000) | ✗ | 05/01/17 |
| In2Se3 | ICSD | 17008 | R3m (160) | ✗ | 5 | 44 | 2 | 0.0 | 0.073 | 0.438 | (0;000) | ✔ | 06/10/16 |
| Ca(ZnAs)2 | COD | 7221219 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.3342 | 0.334 | 0.000 | (0;000) | ✗ | 05/01/17 |
| TiCdHg2 | ICSD | 58987 | P4/mmm (123) | ✔ | 4 | 48 | 3 | 0.0 | 0.011 | 0.583 | (0;000) | ✗ | 27/01/17 |
| NiPS3 | ICSD | 646133 | C2/m (12) | ✔ | 10 | 66 | 2 | 0.0 | 0.006 | 0.203 | (0;000) | ✗ | 27/01/17 |
| Cd2As2O7 | COD | 9007896 | C2/m (12) | ✔ | 11 | 76 | 3 | 2.0721 | 2.542 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Sr(CdAs)2 | ICSD | 23249 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.1364 | 0.136 | 0.000 | (0;000) | ✗ | 05/01/17 |
| TaNiP | ICSD | 646155 | Pnma (62) | ✔ | 12 | 112 | 3 | 0.0 | 0.028 | 0.235 | (0;000) | ✗ | 27/01/17 |
| NiPt | ICSD | 646297 | P4/mmm (123) | ✔ | 2 | 20 | 3 | 0.0 | 0.008 | 0.525 | (0;000) | ✗ | 27/01/17 |
| Cd3As2 | COD | 5910128 | Pnnn (48) | ✔ | 10 | 92 | 3 | 0.0 | 0.004 | 0.387 | (0;000) | ✗ | 05/01/17 |
| Cd(AsO3)2 | COD | 9007893 | P-31m (162) | ✔ | 9 | 58 | 3 | 2.5174 | 2.843 | 0.000 | (0;000) | ✗ | 05/01/17 |
| N2 | ICSD | 644518 | P6_3/mmc (194) | ✔ | 2 | 10 | 1 | 0.0 | 0.000 | 0.808 | (0;000) | ✗ | 27/01/17 |
| CdGeO3 | ICSD | 30971 | R-3 (148) | ✔ | 10 | 68 | 3 | 1.7638 | 1.904 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZrNiP | ICSD | 87358 | P6_3/mmc (194) | ✔ | 6 | 38 | 3 | 0.0 | 0.000 | 0.716 | (0;000) | ✗ | 27/01/17 |
| LiIr | ICSD | 104487 | P-6m2 (187) | ✗ | 2 | 12 | 2 | 0.0 | 0.124 | 0.202 | (0;000) | ✔ | 06/10/16 |
| NiSnRh2 | COD | 1522972 | Fm-3m (225) | ✔ | 4 | 58 | 3 | 0.0 | 0.014 | 0.633 | (0;000) | ✗ | 27/01/17 |
| CoAs2 | COD | 9012076 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.0 | 0.179 | 0.012 | (0;000) | ✗ | 05/01/17 |
| Cd(HO)2 | ICSD | 165224 | P-3m1 (164) | ✔ | 5 | 26 | 2 | 2.0673 | 2.296 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CO2 | ICSD | 110776 | Pnnm (58) | ✔ | 6 | 32 | 1 | 2.2578 | 3.149 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Cu2As2O7 | COD | 4505378 | C2/m (12) | ✔ | 11 | 74 | 3 | 0.0 | 0.027 | 0.349 | (0;000) | ✗ | 05/01/17 |
| K3Cu3As2 | ICSD | 32015 | R-3m (166) | ✔ | 8 | 70 | 2 | 1.2339 | 1.286 | 0.000 | (0;000) | ✗ | 05/01/17 |
| MnCdF5 | ICSD | 69633 | C2/c (15) | ✔ | 14 | 124 | 3 | 0.0 | 0.005 | 0.275 | (0;000) | ✗ | 27/01/17 |
| Cd(FeO2)2 | ICSD | 619857 | Fd-3m (227) | ✔ | 14 | 104 | 3 | 0.0 | 0.001 | 0.661 | (0;000) | ✗ | 27/01/17 |
| IrN | ICSD | 167880 | F-43m (216) | ✗ | 2 | 14 | 3 | 0.0 | 0.146 | 0.582 | (0;000) | ✔ | 06/10/16 |
| PtC | ICSD | 181345 | Fm-3m (225) | ✔ | 2 | 14 | 3 | 0.0 | 0.168 | 0.273 | (0;000) | ✗ | 06/10/16 |
| Cd(GaO2)2 | ICSD | 619869 | Fd-3m (227) | ✔ | 14 | 124 | 3 | 1.3189 | 1.363 | 0.000 | (0;000) | ✗ | 27/01/17 |
| CS2 | ICSD | 15672 | Cmce (64) | ✔ | 6 | 32 | 1 | 0.3788 | 0.877 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NiSe | COD | 9008904 | P6_3/mmc (194) | ✔ | 4 | 32 | 3 | 0.0 | 0.004 | 0.389 | (0;000) | ✗ | 27/01/17 |
| Si2Ni | COD | 9009024 | Fm-3m (225) | ✔ | 3 | 18 | 3 | 0.0 | 0.002 | 0.344 | (0;000) | ✗ | 27/01/17 |
| SiNi | ICSD | 30626 | Pnma (62) | ✔ | 8 | 56 | 3 | 0.0 | 0.014 | 0.355 | (0;000) | ✗ | 27/01/17 |
| Fe4As2O11 | COD | 9009251 | P-1 (2) | ✔ | 17 | 108 | 3 | 0.0 | 0.027 | 0.029 | (0;000) | ✗ | 05/01/17 |
| FeAs2 | COD | 9012340 | Pnnm (58) | ✔ | 6 | 36 | 3 | 0.2868 | 0.618 | 0.000 | (0;000) | ✗ | 05/01/17 |
| IrBr3 | ICSD | 14212 | C2/m (12) | ✔ | 8 | 60 | 2 | 1.4173 | 1.460 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NiSn | COD | 9008905 | P6_3/mmc (194) | ✔ | 4 | 48 | 3 | 0.0 | 0.032 | 0.718 | (0;000) | ✗ | 27/01/17 |
| NiS | COD | 9009240 | P6_3/mmc (194) | ✔ | 4 | 32 | 3 | 0.0 | 0.003 | 0.283 | (0;000) | ✗ | 27/01/17 |
| Ge(Te2As)2 | ICSD | 68111 | R-3m (166) | ✔ | 7 | 38 | 2 | 0.1064 | 0.136 | 0.000 | (0;000) | ✗ | 05/01/17 |
| TiCdF6 | COD | 1527894 | R-3 (148) | ✔ | 8 | 66 | 3 | 0.1564 | 0.162 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NiTe | ICSD | 76730 | R-3m (166) | ✔ | 4 | 32 | 2 | 0.0 | 0.007 | 0.863 | (0;000) | ✗ | 27/01/17 |
| Hg(AsO3)2 | COD | 8101392 | P-31m (162) | ✔ | 9 | 58 | 3 | 0.9726 | 1.700 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Mg2As2O7 | COD | 1528705 | C2/m (12) | ✔ | 11 | 72 | 3 | 3.2513 | 3.251 | 0.000 | (0;000) | ✗ | 05/01/17 |
| CSe2 | ICSD | 60374 | Cmce (64) | ✔ | 6 | 32 | 1 | 1.8396 | 2.057 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Sr(MgAs)2 | ICSD | 610831 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 1.1971 | 1.468 | 0.000 | (0;000) | ✗ | 05/01/17 |
| TiNi | COD | 9016342 | P2_1/m (11) | ✔ | 4 | 44 | 3 | 0.0 | 0.014 | 0.469 | (0;000) | ✗ | 27/01/17 |
| CdPtF6 | ICSD | 37445 | R-3 (148) | ✔ | 8 | 64 | 3 | 2.2851 | 2.289 | 0.000 | (0;000) | ✗ | 27/01/17 |