▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BaBr2 | COD | 1527183 | Pnma (62) | ✔ | 12 | 96 | 1 | 4.134 | 4.134 | 0.000 | (0;000) | ✗ | 02/02/17 |
ScPRu | ICSD | 77790 | P-62m (189) | ✗ | 9 | 96 | 3 | 0.0 | 0.000 | 0.650 | ? | ✗ | 06/10/16 |
SrSiPd | ICSD | 69791 | P2_13 (198) | ✗ | 12 | 96 | 3 | 0.0 | 0.000 | 0.492 | ? | ✗ | 06/10/16 |
HfO2 | COD | 9013470 | P2_1/c (14) | ✔ | 12 | 96 | 3 | 4.1729 | 4.216 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaReSi | ICSD | 650119 | P-62m (189) | ✗ | 9 | 96 | 3 | 0.0 | 0.000 | 0.646 | ? | ✗ | 06/10/16 |
BaBrCl | ICSD | 35458 | Pnma (62) | ✔ | 12 | 96 | 1 | 4.6167 | 4.617 | 0.000 | (0;000) | ✗ | 02/02/17 |
V3Sb2 | ICSD | 41814 | R-3m (166) | ✔ | 10 | 98 | 3 | 0.0 | 0.014 | 0.367 | (0;000) | ✗ | 27/01/17 |
Na6PbO5 | ICSD | 15102 | I4mm (107) | ✗ | 12 | 98 | 1 | 1.4651 | 1.529 | 0.000 | (0;000) | ✗ | 07/10/16 |
MoPO5 | ICSD | 36095 | P4/n (85) | ✔ | 14 | 98 | 3 | 0.0 | 0.000 | 0.503 | (1;001) | ✗ | 27/01/17 |
Sr2CrN3 | COD | 7012865 | P-1 (2) | ✔ | 12 | 98 | 1 | 0.7771 | 0.921 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zn7Mo | ICSD | 130003 | Fm-3m (225) | ✔ | 8 | 98 | 3 | 0.0 | 0.056 | 0.627 | (1;000) | ✗ | 27/01/17 |
AgBF5 | COD | 1509211 | P4/n (85) | ✔ | 14 | 98 | 3 | 0.0 | 0.000 | 0.997 | (1;001) | ✗ | 05/01/17 |
YCrO4 | ICSD | 157934 | I4_1/a (88) | ✔ | 12 | 98 | 3 | 0.0 | 0.000 | 0.671 | (1;111) | ✗ | 27/01/17 |
BaCuF4 | ICSD | 9930 | Cmc2_1 (36) | ✗ | 12 | 98 | 2 | 0.0 | 0.000 | 0.474 | (1;000) | ✔ | 28/11/16 |
YCrO4 | COD | 1008143 | I4_1/amd (141) | ✔ | 12 | 98 | 3 | 0.0 | 0.000 | 0.930 | (1;111) | ✗ | 27/01/17 |
Ti3In | ICSD | 640656 | P6_3/mmc (194) | ✔ | 8 | 98 | 3 | 0.0 | 0.000 | 0.568 | (1;000) | ✗ | 27/01/17 |
Cs3NiO2 | ICSD | 424578 | P4_2/mnm (136) | ✔ | 12 | 98 | 3 | 0.0 | 0.000 | 0.766 | (0;000) | ✗ | 02/02/17 |
Mn2V2O7 | COD | 9009314 | C2/m (12) | ✔ | 11 | 98 | 3 | 0.0 | 0.000 | 0.755 | (0;000) | ✗ | 27/01/17 |
Y3Ge4 | ICSD | 88105 | Cmcm (63) | ✔ | 14 | 98 | 3 | 0.0 | 0.000 | 0.868 | (0;110) | ✗ | 02/02/17 |
V3Pt | COD | 1523723 | Pm-3n (223) | ✔ | 8 | 98 | 3 | 0.0 | 0.000 | 0.512 | (0;000) | ✗ | 27/01/17 |
Hf2Al3C4 | ICSD | 161588 | P6_3/mmc (194) | ✔ | 18 | 98 | 3 | 0.0 | 0.000 | 0.988 | (0;000) | ✗ | 02/02/17 |
MnBiS2Br | ICSD | 415307 | C2/m (12) | ✔ | 10 | 98 | 3 | 0.0 | 0.005 | 0.294 | (1;111) | ✗ | 02/02/17 |
V3AsN | ICSD | 610970 | Cmcm (63) | ✔ | 10 | 98 | 3 | 0.0 | 0.000 | 0.863 | (0;110) | ✗ | 05/01/17 |
MoCl5 | ICSD | 84620 | P-1 (2) | ✔ | 12 | 98 | 1 | 0.0 | 0.021 | 0.413 | (1;110) | ✗ | 06/10/16 |
VPO4F | ICSD | 183878 | C2/c (15) | ✔ | 14 | 98 | 3 | 0.0 | 0.000 | 0.779 | (1;100) | ✗ | 27/01/17 |
K3GeSe3 | ICSD | 47112 | C2/m (12) | ✔ | 14 | 98 | 1 | 1.988 | 2.044 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrCuF4 | ICSD | 9927 | I4/mcm (140) | ✔ | 12 | 98 | 1 | 0.0 | 0.001 | 0.584 | (0;000) | ✗ | 27/01/17 |
K3GeS3 | ICSD | 636776 | C2/m (12) | ✔ | 14 | 98 | 1 | 2.6088 | 2.649 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbCuO3F | ICSD | 200533 | P-1 (2) | ✔ | 12 | 98 | 3 | 0.0 | 0.009 | 0.456 | (1;011) | ✗ | 27/01/17 |
KNb4O5F | ICSD | 88880 | P4/mmm (123) | ✔ | 11 | 98 | 3 | 0.0 | 0.004 | 0.604 | (0;000) | ✗ | 27/01/17 |
BaCuSn2 | ICSD | 58648 | Cmcm (63) | ✔ | 8 | 98 | 3 | 0.0 | 0.000 | 0.864 | (1;000) | ✗ | 02/02/17 |
Mn(BMo)2 | ICSD | 614755 | P4/mbm (127) | ✔ | 10 | 98 | 3 | 0.0 | 0.000 | 0.903 | (0;001) | ✗ | 05/01/17 |
Mn(BW)2 | COD | 1510759 | P4/mbm (127) | ✔ | 10 | 98 | 3 | 0.0 | 0.000 | 1.000 | (1;110) | ✗ | 05/01/17 |
MnBiSe2I | ICSD | 415138 | C2/m (12) | ✔ | 10 | 98 | 3 | 0.0 | 0.006 | 0.308 | (1;001) | ✗ | 02/02/17 |
Ni4B3 | ICSD | 150561 | C2/c (15) | ✔ | 14 | 98 | 3 | 0.0 | 0.000 | 0.801 | (0;100) | ✗ | 05/01/17 |
Ni4B3 | COD | 1510942 | C2/c (15) | ✔ | 14 | 98 | 3 | 0.0 | 0.000 | 0.809 | (1;101) | ✗ | 05/01/17 |
V3PN | ICSD | 644620 | Cmcm (63) | ✔ | 10 | 98 | 3 | 0.0 | 0.000 | 0.905 | (1;110) | ✗ | 27/01/17 |
CsV(MoO4)2 | ICSD | 202907 | P-3m1 (164) | ✔ | 12 | 98 | 2 | 0.0 | 0.034 | 0.482 | (0;000) | ✗ | 02/02/17 |
Ba(Ge3Pt)4 | ICSD | 174551 | Im3 (204) | ✔ | 17 | 98 | 3 | 0.0 | 0.028 | 0.522 | (1;000) | ✗ | 02/02/17 |
BaNb4O6 | ICSD | 42006 | P4/mmm (123) | ✔ | 11 | 98 | 3 | 0.0 | 0.003 | 0.660 | (1;111) | ✗ | 05/01/17 |
Ba(NiO2)4 | ICSD | 20898 | R-3m (166) | ✔ | 13 | 98 | 2 | 0.0 | 0.002 | 0.827 | (1;111) | ✗ | 05/01/17 |
Mn3Ge | ICSD | 603343 | P6_3/mmc (194) | ✔ | 8 | 98 | 3 | 0.0 | 0.000 | 0.724 | (1;000) | ✗ | 27/01/17 |
CuH2SO5 | ICSD | 68184 | P-1 (2) | ✔ | 18 | 98 | 3 | 0.0 | 0.020 | 0.095 | (0;011) | ✗ | 27/01/17 |
CuH2SeO5 | ICSD | 39887 | P-1 (2) | ✔ | 18 | 98 | 3 | 0.0 | 0.008 | 0.094 | (1;100) | ✗ | 27/01/17 |
Nb3Pt | COD | 1523069 | Pm-3n (223) | ✔ | 8 | 98 | 3 | 0.0 | 0.000 | 0.496 | (0;000) | ✗ | 27/01/17 |
VSO5 | COD | 1528702 | P4/n (85) | ✔ | 14 | 98 | 3 | 0.0 | 0.000 | 0.944 | (0;000) | ✗ | 27/01/17 |
SrLi3MnN3 | ICSD | 412874 | R-3 (148) | ✔ | 16 | 98 | 2 | 0.0 | 0.056 | 0.035 | (0;000) | ✗ | 27/01/17 |
CuMoO4 | ICSD | 39439 | P-1 (2) | ✔ | 12 | 98 | 3 | 0.0 | 0.027 | 0.324 | (0;110) | ✗ | 27/01/17 |
MoCl5 | COD | 2101942 | P-1 (2) | ✔ | 12 | 98 | 1 | 0.0 | 0.004 | 0.377 | (1;111) | ✗ | 02/02/17 |
V3Ni | ICSD | 647028 | Pm-3n (223) | ✔ | 8 | 98 | 3 | 0.0 | 0.000 | 0.557 | (1;000) | ✗ | 27/01/17 |