| ▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| SrCdAu | ICSD | 426612 | Pnma (62) | ✔ | 12 | 132 | 3 | 0.0 | 0.008 | 0.779 | (0;011) | ✗ | 30/01/17 |
| CsCu2Cl3 | COD | 2310349 | Cmcm (63) | ✔ | 12 | 104 | 1 | 1.8641 | 1.864 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiSn4Ir | COD | 1529009 | I4/mcm (140) | ✔ | 12 | 152 | 3 | 0.0 | 0.020 | 0.279 | (0;000) | ✗ | 02/02/17 |
| HfGeTe4 | ICSD | 241122 | Cmc2_1 (36) | ✗ | 12 | 80 | 2 | 0.1165 | 0.169 | 0.000 | (0;000) | ✔ | 06/10/16 |
| ZrCoGe | ICSD | 623685 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.000 | 0.636 | (1;011) | ✗ | 27/01/17 |
| Sb2Ir | ICSD | 42620 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.5983 | 0.849 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZrMn2 | ICSD | 643938 | P6_3/mmc (194) | ✔ | 12 | 136 | 3 | 0.0 | 0.002 | 0.892 | (0;000) | ✗ | 27/01/17 |
| YSiIr | ICSD | 427253 | Pnma (62) | ✔ | 12 | 128 | 3 | 0.0 | 0.017 | 0.422 | (1;000) | ✗ | 02/02/17 |
| BiO2 | COD | 9009765 | C2/c (15) | ✔ | 12 | 108 | 3 | 1.529 | 1.615 | 0.000 | (0;000) | ✗ | 05/01/17 |
| YSnIr | ICSD | 427252 | Pnma (62) | ✔ | 12 | 168 | 3 | 0.0 | 0.034 | 0.534 | (1;000) | ✗ | 02/02/17 |
| Te2Ir | COD | 1526496 | Pa3 (205) | ✔ | 12 | 116 | 3 | 0.0 | 0.000 | 0.686 | (1;111) | ✗ | 02/02/17 |
| Te2Ir | COD | 1526498 | Pnma (62) | ✔ | 12 | 116 | 3 | 0.0 | 0.001 | 0.211 | (0;011) | ✗ | 02/02/17 |
| CaCdAu | ICSD | 420574 | Pnma (62) | ✔ | 12 | 132 | 3 | 0.0 | 0.008 | 0.781 | (0;011) | ✗ | 30/01/17 |
| SbSeI | COD | 1008204 | Pnma (62) | ✔ | 12 | 72 | 1 | 1.2091 | 1.322 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaInAu | COD | 1510059 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.047 | 0.535 | (1;000) | ✗ | 30/01/17 |
| SbSI | ICSD | 28305 | Pnma (62) | ✔ | 12 | 72 | 1 | 1.329 | 1.450 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TaTe4I | ICSD | 67533 | P-1 (2) | ✔ | 12 | 88 | 3 | 0.2937 | 0.407 | 0.000 | (0;000) | ✗ | 02/02/17 |
| CaGaAu | COD | 1510615 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.039 | 0.506 | (1;000) | ✗ | 30/01/17 |
| BiPO4 | COD | 7023720 | P2_1/m (11) | ✔ | 12 | 88 | 3 | 3.4763 | 3.555 | 0.000 | (0;000) | ✗ | 05/01/17 |
| ReBiO4 | COD | 1522924 | Cmcm (63) | ✔ | 12 | 108 | 3 | 0.0 | 0.030 | 0.756 | (0;000) | ✗ | 05/01/17 |
| BiSbO4 | ICSD | 35478 | C2/c (15) | ✔ | 12 | 88 | 3 | 2.6573 | 2.690 | 0.000 | (0;000) | ✗ | 05/01/17 |
| VBiO4 | COD | 9011741 | I4_1/amd (141) | ✔ | 12 | 104 | 3 | 2.5386 | 2.543 | 0.000 | (0;000) | ✗ | 05/01/17 |
| TaMn2 | ICSD | 643763 | P6_3/mmc (194) | ✔ | 12 | 172 | 3 | 0.0 | 0.002 | 0.668 | (1;000) | ✗ | 27/01/17 |
| VBiO4 | COD | 9012062 | I4_1/a (88) | ✔ | 12 | 104 | 3 | 2.1086 | 2.165 | 0.000 | (0;000) | ✗ | 05/01/17 |
| Li2GeO3 | ICSD | 100403 | Ccm2_1 (36) | ✗ | 12 | 56 | 1 | 4.0511 | 4.230 | 0.000 | (0;000) | ✗ | 06/10/16 |
| AuCl2 | COD | 4027825 | P-1 (2) | ✔ | 12 | 100 | 1 | 0.7863 | 1.209 | 0.000 | (0;000) | ✗ | 30/01/17 |
| BiOsSe | ICSD | 616892 | P2_1/c (14) | ✔ | 12 | 148 | 3 | 0.3781 | 0.641 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TlAuCl4 | COD | 2018865 | C2/c (15) | ✔ | 12 | 104 | 1 | 1.7994 | 1.820 | 0.000 | (0;000) | ✗ | 30/01/17 |
| CsAuCl4 | ICSD | 423233 | C2/c (15) | ✔ | 12 | 96 | 1 | 1.8939 | 1.944 | 0.000 | (0;000) | ✗ | 30/01/17 |
| NaCuO | COD | 1527531 | I4/m (87) | ✔ | 12 | 104 | 3 | 1.2829 | 1.388 | 0.000 | (0;000) | ✗ | 27/01/17 |
| LiBIr | COD | 1511190 | Fddd (70) | ✔ | 12 | 92 | 3 | 0.0 | 0.038 | 0.253 | (1;111) | ✗ | 05/01/17 |
| RbAuCl4 | COD | 8103425 | C2/c (15) | ✔ | 12 | 96 | 1 | 2.0009 | 2.007 | 0.000 | (0;000) | ✗ | 30/01/17 |
| Nb4SiCu | ICSD | 628492 | P4/mcc (124) | ✔ | 12 | 134 | 3 | 0.0 | 0.000 | 0.698 | (1;110) | ✗ | 27/01/17 |
| BiTe | COD | 9000678 | P-3m1 (164) | ✔ | 12 | 126 | 2 | 0.0457 | 0.097 | 0.000 | (0;001) | ✗ | 02/02/17 |
| K2SO3 | ICSD | 60762 | P-3m1 (164) | ✔ | 12 | 84 | 1 | 4.983 | 5.165 | 0.000 | (0;000) | ✗ | 02/02/17 |
| K2TeO3 | ICSD | 65640 | P-3 (147) | ✔ | 12 | 84 | 1 | 3.7404 | 3.933 | 0.000 | (0;000) | ✗ | 02/02/17 |
| LiB11 | ICSD | 164842 | R3m (160) | ✗ | 12 | 36 | 0 | 0.0 | 0.261 | 0.254 | (0;000) | ✔ | 06/10/16 |
| CuSeO4 | ICSD | 109073 | Cmcm (63) | ✔ | 12 | 82 | 3 | 0.0 | 0.000 | 0.640 | (0;000) | ✗ | 27/01/17 |
| Na2GeO3 | ICSD | 1622 | Ccm2_1 (36) | ✗ | 12 | 80 | 1 | 3.3058 | 3.615 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Na2GeO3 | ICSD | 16833 | Ccm2_1 (36) | ✗ | 12 | 80 | 1 | 2.3556 | 2.502 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Be2W | ICSD | 616501 | P6_3/mmc (194) | ✔ | 12 | 88 | 3 | 0.0 | 0.153 | 1.000 | (1;001) | ✗ | 27/01/17 |
| Na2GeO3 | ICSD | 23781 | Ccm2_1 (36) | ✗ | 12 | 80 | 1 | 2.7517 | 2.752 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li3BN2 | COD | 1511227 | P4_2/mnm (136) | ✔ | 12 | 44 | 1 | 3.4812 | 4.061 | 0.000 | (0;000) | ✗ | 27/01/17 |
| K2NaBP2 | ICSD | 300133 | C2/m (12) | ✔ | 12 | 80 | 1 | 1.8181 | 1.907 | 0.000 | (0;000) | ✗ | 02/02/17 |
| Li2CO3 | COD | 1531432 | P6_3/mcm (193) | ✔ | 12 | 56 | 1 | 3.5493 | 4.009 | 0.000 | (0;000) | ✗ | 27/01/17 |
| NaMgBO3 | COD | 4307923 | C2/c (15) | ✔ | 12 | 80 | 3 | 3.7545 | 3.755 | 0.000 | (0;000) | ✗ | 27/01/17 |
| Te2Mo | ICSD | 14349 | P2_1/m (11) | ✔ | 12 | 104 | 2 | 0.0 | 0.034 | 0.170 | (0;000) | ✗ | 06/10/16 |
| K2SnSe3 | ICSD | 300234 | P-1 (2) | ✔ | 12 | 100 | 1 | 1.7684 | 1.768 | 0.000 | (0;000) | ✗ | 02/02/17 |
| VINCl3 | ICSD | 10470 | P-1 (2) | ✔ | 12 | 92 | 3 | 0.0 | 0.063 | 0.144 | (0;000) | ✗ | 02/02/17 |
| ZrBi | COD | 8100032 | Cmcm (63) | ✔ | 12 | 114 | 3 | 0.0 | 0.000 | 0.692 | (1;110) | ✗ | 02/02/17 |
| MnNbP | ICSD | 68280 | Pnma (62) | ✔ | 12 | 132 | 3 | 0.0 | 0.000 | 0.461 | (0;011) | ✗ | 27/01/17 |
| GePtSe | ICSD | 2595 | P2_1ab (29) | ✗ | 12 | 80 | 3 | 0.458 | 0.602 | 0.000 | (0;000) | ✔ | 06/10/16 |
| MnMoO4 | ICSD | 61078 | P2/c (13) | ✔ | 12 | 106 | 3 | 0.0 | 0.000 | 0.660 | (1;010) | ✗ | 27/01/17 |
| KNa2 | ICSD | 641263 | P6_3/mmc (194) | ✔ | 12 | 108 | 1 | 0.0 | 0.000 | 0.665 | (0;000) | ✗ | 02/02/17 |
| GePtSe | ICSD | 822 | P2_1ab (29) | ✗ | 12 | 80 | 3 | 0.8395 | 1.082 | 0.000 | (0;000) | ✗ | 06/10/16 |
| Li2CO3 | COD | 2310703 | C2/c (15) | ✔ | 12 | 56 | 1 | 5.282 | 5.417 | 0.000 | (0;000) | ✗ | 27/01/17 |
| SrGePt | ICSD | 57115 | P2_13 (198) | ✗ | 12 | 96 | 3 | 0.0 | 0.000 | 0.543 | ? | ✗ | 06/10/16 |
| K3NiO2 | ICSD | 262579 | P4_2/mnm (136) | ✔ | 12 | 98 | 2 | 0.0 | 0.000 | 0.603 | (0;000) | ✗ | 02/02/17 |
| NbBO4 | COD | 9012847 | I4_1/amd (141) | ✔ | 12 | 80 | 3 | 2.8207 | 2.846 | 0.000 | (0;000) | ✗ | 27/01/17 |
| ZrGeTe4 | ICSD | 240906 | Cmc2_1 (36) | ✗ | 12 | 64 | 2 | 0.0 | 0.116 | 0.024 | (0;000) | ✔ | 06/10/16 |
| YNi4B | COD | 8000084 | P6/mmm (191) | ✔ | 12 | 108 | 3 | 0.0 | 0.007 | 0.649 | (0;000) | ✗ | 27/01/17 |
| TaBO4 | COD | 1511288 | I4_1/amd (141) | ✔ | 12 | 80 | 3 | 3.5135 | 3.581 | 0.000 | (0;000) | ✗ | 27/01/17 |
| B | COD | 1512492 | R-3m (166) | ✔ | 12 | 36 | 3 | 1.4362 | 1.829 | 0.000 | (0;000) | ✗ | 27/01/17 |
| MnCoP | COD | 1008861 | Pnma (62) | ✔ | 12 | 148 | 3 | 0.0 | 0.001 | 0.615 | (1;011) | ✗ | 27/01/17 |
| POsSe | ICSD | 647716 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.762 | 1.054 | 0.000 | (0;000) | ✗ | 27/01/17 |
| MnNiP | ICSD | 643093 | Pnma (62) | ✔ | 12 | 120 | 3 | 0.0 | 0.000 | 0.399 | (0;000) | ✗ | 27/01/17 |
| MnReO4 | COD | 2100243 | P2/c (13) | ✔ | 12 | 108 | 3 | 0.0 | 0.020 | 0.091 | (1;110) | ✗ | 27/01/17 |
| MnSiNi | ICSD | 165241 | Pnma (62) | ✔ | 12 | 116 | 3 | 0.0 | 0.001 | 0.534 | (0;011) | ✗ | 27/01/17 |
| Y2NCl3 | ICSD | 65829 | C2/m (12) | ✔ | 12 | 96 | 3 | 1.9476 | 2.458 | 0.000 | (0;000) | ✗ | 02/02/17 |
| MnSO4 | ICSD | 23840 | Cmcm (63) | ✔ | 12 | 90 | 3 | 0.0 | 0.000 | 0.517 | (0;000) | ✗ | 27/01/17 |
| MnSeO4 | ICSD | 109071 | Cmcm (63) | ✔ | 12 | 90 | 3 | 0.0 | 0.001 | 0.451 | (0;000) | ✗ | 27/01/17 |
| HgBr2 | COD | 9009213 | Cmcm (63) | ✔ | 12 | 104 | 3 | 0.0 | 0.025 | 0.460 | (0;110) | ✗ | 27/01/17 |
| HfCoP | ICSD | 623786 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.018 | 0.068 | (1;000) | ✗ | 27/01/17 |
| ZrOs2 | ICSD | 647879 | P6_3/mmc (194) | ✔ | 12 | 144 | 3 | 0.0 | 0.006 | 0.477 | (1;000) | ✗ | 27/01/17 |
| NaGe2N3 | ICSD | 47100 | Cmc2_1 (36) | ✗ | 12 | 64 | 3 | 2.7533 | 3.033 | 0.000 | (0;000) | ✗ | 06/10/16 |
| ZrSiOs | ICSD | 647807 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.055 | 0.317 | (1;000) | ✗ | 27/01/17 |
| HfCoSi | ICSD | 623795 | Pnma (62) | ✔ | 12 | 132 | 3 | 0.0 | 0.000 | 0.522 | (1;011) | ✗ | 27/01/17 |
| HfSO | ICSD | 23327 | P2_13 (198) | ✗ | 12 | 96 | 3 | 2.7591 | 3.483 | 0.000 | (0;000) | ✗ | 06/10/16 |
| MnCoSi | COD | 1009072 | Pnma (62) | ✔ | 12 | 144 | 3 | 0.0 | 0.005 | 0.289 | (0;000) | ✗ | 27/01/17 |
| KSc(MoO4)2 | ICSD | 28019 | P-3m1 (164) | ✔ | 12 | 96 | 3 | 3.0812 | 3.081 | 0.000 | (0;000) | ✗ | 02/02/17 |
| TeAuI | COD | 1510182 | P2_1/c (14) | ✔ | 12 | 96 | 2 | 0.8628 | 1.046 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ZrMnP | ICSD | 76095 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.007 | 0.554 | (1;000) | ✗ | 27/01/17 |
| TaMnP | ICSD | 85947 | Pnma (62) | ✔ | 12 | 132 | 3 | 0.0 | 0.001 | 0.656 | (0;011) | ✗ | 27/01/17 |
| KNaSe | ICSD | 67278 | Pnma (62) | ✔ | 12 | 96 | 1 | 2.022 | 2.022 | 0.000 | (0;000) | ✗ | 02/02/17 |
| ScOs2 | ICSD | 647766 | P6_3/mmc (194) | ✔ | 12 | 172 | 3 | 0.0 | 0.004 | 0.938 | (1;000) | ✗ | 27/01/17 |
| ZrMnSi | ICSD | 76236 | Pnma (62) | ✔ | 12 | 92 | 3 | 0.0 | 0.000 | 0.849 | (1;011) | ✗ | 27/01/17 |
| NaIO4 | COD | 2106357 | I4_1/a (88) | ✔ | 12 | 80 | 1 | 2.3682 | 2.392 | 0.000 | (0;000) | ✗ | 30/01/17 |
| MoPbO4 | COD | 9009404 | I4_1/a (88) | ✔ | 12 | 104 | 3 | 2.6238 | 2.740 | 0.000 | (0;000) | ✗ | 27/01/17 |
| BRh2 | COD | 2310098 | Pnma (62) | ✔ | 12 | 148 | 3 | 0.0 | 0.001 | 0.753 | (1;011) | ✗ | 27/01/17 |
| SrHgO2 | ICSD | 69739 | P3_2 (145) | ✗ | 12 | 102 | 2 | 2.4955 | 2.570 | 0.000 | (0;000) | ✗ | 06/10/16 |
| NaIO4 | COD | 1010016 | I4_1/a (88) | ✔ | 12 | 80 | 3 | 0.0 | 0.014 | 0.493 | (1;111) | ✗ | 30/01/17 |
| H4BrN | ICSD | 27724 | P4/nmm (129) | ✔ | 12 | 32 | 1 | 3.0741 | 3.074 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KReO4 | COD | 2106705 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 4.3067 | 4.307 | 0.000 | (0;000) | ✗ | 02/02/17 |
| KRuO4 | COD | 1008130 | I4_1/a (88) | ✔ | 12 | 98 | 1 | 0.0 | 0.000 | 0.694 | (1;111) | ✗ | 02/02/17 |
| PH4Br | ICSD | 23691 | P4/nmm (129) | ✔ | 12 | 32 | 1 | 3.9308 | 4.105 | 0.000 | (0;000) | ✗ | 27/01/17 |
| HgSO4 | ICSD | 100316 | Pn2_1m (31) | ✗ | 12 | 84 | 3 | 1.6049 | 2.007 | 0.000 | (0;000) | ✗ | 06/10/16 |
| CuP2 | ICSD | 628625 | P2_1/c (14) | ✔ | 12 | 84 | 2 | 0.8546 | 0.855 | 0.000 | (0;000) | ✗ | 27/01/17 |
| KPb2 | COD | 1523701 | P6_3/mmc (194) | ✔ | 12 | 148 | 3 | 0.0 | 0.005 | 0.568 | (1;000) | ✗ | 02/02/17 |
| HgSO4 | ICSD | 25773 | Pn2_1m (31) | ✗ | 12 | 84 | 3 | 1.51 | 2.097 | 0.000 | (0;000) | ✗ | 06/10/16 |
| GaHgCl4 | ICSD | 413579 | P-1 (2) | ✔ | 12 | 106 | 2 | 3.0339 | 3.159 | 0.000 | (0;000) | ✗ | 02/02/17 |