▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ba2I2O | ICSD | 391434 | Ibam (72) | ✔ | 10 | 80 | 1 | 2.7672 | 2.976 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2YIrO6 | ICSD | 88155 | C2/m (12) | ✔ | 10 | 84 | 3 | 0.0 | 0.337 | 0.384 | (0;000) | ✗ | 02/02/17 |
Sr2CaMoO6 | ICSD | 72815 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 2.1254 | 2.199 | 0.000 | (0;000) | ✗ | 27/01/17 |
Pb2ClOF | COD | 9012904 | Cmme (67) | ✔ | 10 | 96 | 2 | 2.3301 | 2.444 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaLi5Sn4 | ICSD | 12142 | R3m (160) | ✗ | 10 | 80 | 2 | 0.0 | 0.016 | 0.377 | ? | ✗ | 06/10/16 |
Ba2ZnSb2 | COD | 4315626 | Ibam (72) | ✔ | 10 | 84 | 1 | 0.0964 | 0.317 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaPtO3 | COD | 4343862 | Cmcm (63) | ✔ | 10 | 76 | 2 | 1.5286 | 1.604 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaRhO3 | ICSD | 164774 | Cmcm (63) | ✔ | 10 | 90 | 2 | 0.0 | 0.000 | 0.709 | (0;000) | ✗ | 27/01/17 |
CaSnO3 | COD | 1004022 | R-3 (148) | ✔ | 10 | 84 | 1 | 3.4424 | 3.721 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaTiO3 | ICSD | 162922 | I4/mcm (140) | ✔ | 10 | 80 | 3 | 2.0423 | 2.048 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiMnO3 | ICSD | 184650 | R3c (161) | ✗ | 10 | 90 | 3 | 0.0 | 0.000 | 0.795 | ? | ✗ | 06/10/16 |
TiMnO3 | ICSD | 190911 | R3c (161) | ✗ | 10 | 90 | 3 | 0.0 | 0.000 | 0.867 | ? | ✗ | 06/10/16 |
Sr2CaWO6 | ICSD | 36459 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 2.8848 | 2.957 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiMnO3 | ICSD | 65359 | R3c (161) | ✗ | 10 | 90 | 3 | 0.0 | 0.000 | 0.700 | ? | ✗ | 06/10/16 |
Nb(SeBr)2 | COD | 4031460 | P-1 (2) | ✔ | 10 | 78 | 2 | 0.919 | 0.973 | 0.000 | (0;000) | ✗ | 02/02/17 |
Nb(SeBr)2 | COD | 4030178 | C2/m (12) | ✔ | 10 | 78 | 2 | 0.7817 | 0.861 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsCdBr3 | COD | 1527655 | P6_3/mmc (194) | ✔ | 10 | 84 | 1 | 2.7458 | 2.746 | 0.000 | (0;000) | ✗ | 02/02/17 |
RuF4 | ICSD | 165398 | P2_1/c (14) | ✔ | 10 | 88 | 2 | 0.0 | 0.078 | 0.066 | (0;000) | ✗ | 27/01/17 |
CaInBr3 | ICSD | 54138 | Cmcm (63) | ✔ | 10 | 88 | 1 | 3.0299 | 3.205 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cr3AsC | ICSD | 609880 | Cmcm (63) | ✔ | 10 | 102 | 3 | 0.0 | 0.000 | 0.980 | (0;001) | ✗ | 27/01/17 |
V3AsC | ICSD | 609887 | Cmcm (63) | ✔ | 10 | 96 | 3 | 0.0 | 0.003 | 0.713 | (1;110) | ✗ | 27/01/17 |
RbNiBr3 | COD | 1527093 | P6_3/mmc (194) | ✔ | 10 | 80 | 1 | 0.0 | 0.014 | 0.320 | (0;000) | ✗ | 02/02/17 |
Ba(BiPd)2 | ICSD | 416299 | P2_1/m (11) | ✔ | 10 | 152 | 3 | 0.0 | 0.059 | 0.739 | (0;000) | ✗ | 02/02/17 |
BaSbClO2 | ICSD | 200962 | Cmcm (63) | ✔ | 10 | 68 | 1 | 0.8819 | 2.937 | 1.000 | (0;000) | ✗ | 02/02/17 |
MgGeO3 | COD | 9010456 | Cmcm (63) | ✔ | 10 | 64 | 3 | 5.8122 | 5.858 | 0.000 | (0;000) | ✗ | 27/01/17 |
KRb2GaF6 | ICSD | 416605 | Fm-3m (225) | ✔ | 10 | 82 | 3 | 6.2312 | 6.231 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaCO3 | COD | 9006847 | P6_3/mmc (194) | ✔ | 10 | 64 | 1 | 4.3243 | 4.751 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba3LiN | ICSD | 245652 | P6_3/mmc (194) | ✔ | 10 | 76 | 1 | 0.0 | 0.002 | 0.574 | (1;000) | ✗ | 02/02/17 |
Zr2Ni2Sn | ICSD | 54303 | P4/mbm (127) | ✔ | 10 | 84 | 3 | 0.0 | 0.002 | 0.853 | (1;001) | ✗ | 27/01/17 |
Si2N2O | ICSD | 100775 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.2072 | 5.207 | 0.000 | (0;000) | ✗ | 06/10/16 |
Si2N2O | ICSD | 100776 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.1086 | 5.109 | 0.000 | (0;000) | ✗ | 06/10/16 |
Si2N2O | ICSD | 168781 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.2974 | 5.297 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaCO3 | ICSD | 161621 | Pmmn (59) | ✔ | 10 | 64 | 1 | 4.485 | 4.872 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaCO3 | ICSD | 186773 | P-1 (2) | ✔ | 10 | 64 | 1 | 3.8372 | 3.837 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaCO3 | COD | 9000969 | R-3c (167) | ✔ | 10 | 64 | 2 | 5.1595 | 5.398 | 0.000 | (0;000) | ✗ | 27/01/17 |
Si2N2O | ICSD | 168782 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.1818 | 5.182 | 0.000 | (0;000) | ✗ | 06/10/16 |
Si2N2O | ICSD | 169120 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.299 | 5.332 | 0.000 | (0;000) | ✗ | 06/10/16 |
CdCO3 | COD | 9000100 | R-3c (167) | ✔ | 10 | 68 | 3 | 2.9606 | 3.873 | 0.000 | (0;000) | ✗ | 27/01/17 |
Si2N2O | ICSD | 200244 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.2584 | 5.258 | 0.000 | (0;000) | ✗ | 06/10/16 |
Si2N2O | ICSD | 200245 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.3244 | 5.324 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr2NiOsO6 | ICSD | 152442 | I4/m (87) | ✔ | 10 | 82 | 3 | 0.0 | 0.014 | 0.265 | (0;000) | ✗ | 27/01/17 |
PbCClO2 | ICSD | 99805 | C2/m (12) | ✔ | 10 | 74 | 2 | 2.7433 | 2.837 | 0.000 | (0;000) | ✗ | 27/01/17 |
Si2N2O | ICSD | 200246 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.2994 | 5.299 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr2NiTeO6 | ICSD | 16225 | C2/m (12) | ✔ | 10 | 72 | 3 | 0.0 | 0.007 | 0.430 | (0;000) | ✗ | 27/01/17 |
Fe3Sn2 | ICSD | 71 | R-3m (166) | ✔ | 10 | 104 | 3 | 0.0 | 0.001 | 0.459 | (1;111) | ✗ | 27/01/17 |
Pb | ICSD | 105159 | P6_3/mmc (194) | ✔ | 10 | 140 | 1 | 0.0 | 0.536 | 0.083 | (0;000) | ✗ | 02/02/17 |
VF4 | ICSD | 65785 | P2_1/c (14) | ✔ | 10 | 82 | 2 | 0.0 | 0.000 | 0.558 | (0;000) | ✗ | 27/01/17 |
Ba3NaN | ICSD | 67497 | P6_3/mmc (194) | ✔ | 10 | 88 | 1 | 0.0 | 0.008 | 0.556 | (1;000) | ✗ | 02/02/17 |
Ni3Te2 | ICSD | 99271 | P2_1/m (11) | ✔ | 10 | 84 | 3 | 0.0 | 0.015 | 0.713 | (1;000) | ✗ | 27/01/17 |
CsMnBr3 | COD | 1532232 | P6_3/mmc (194) | ✔ | 10 | 90 | 1 | 0.0 | 0.000 | 0.764 | (0;000) | ✗ | 02/02/17 |