▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
FeS | COD | 9008893 | P6_3/mmc (194) | ✔ | 4 | 28 | 3 | 0.0 | 0.020 | 0.223 | (0;000) | ✗ | 27/01/17 |
FeTe2 | COD | 9009791 | Pnnm (58) | ✔ | 6 | 40 | 3 | 0.0 | 0.541 | 0.063 | (0;000) | ✗ | 27/01/17 |
TiNi | ICSD | 157606 | Pmmb (51) | ✔ | 4 | 44 | 3 | 0.0 | 0.011 | 0.650 | (0;100) | ✗ | 06/10/16 |
FeSbS | COD | 9000017 | P2_1/c (14) | ✔ | 12 | 76 | 3 | 0.4941 | 0.589 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScGa2Ni | COD | 1522446 | Cmcm (63) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.889 | (0;000) | ✗ | 27/01/17 |
VPO4F | ICSD | 183878 | C2/c (15) | ✔ | 14 | 98 | 3 | 0.0 | 0.000 | 0.779 | (1;100) | ✗ | 27/01/17 |
KSeO2F | ICSD | 78398 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 3.8904 | 3.918 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr2FeO3F | ICSD | 93510 | P4/nmm (129) | ✔ | 14 | 106 | 1 | 0.0 | 0.000 | 0.858 | (0;000) | ✗ | 27/01/17 |
LiFeSO4F | ICSD | 182944 | P-1 (2) | ✔ | 16 | 96 | 3 | 0.3415 | 0.363 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScAu | COD | 1510291 | Pm-3m (221) | ✔ | 2 | 22 | 3 | 0.0 | 0.000 | 0.714 | (0;111) | ✗ | 05/01/17 |
AgI | ICSD | 56557 | P2_1/m (11) | ✔ | 4 | 36 | 3 | 0.3263 | 1.617 | 0.000 | (0;000) | ✔ | 06/10/16 |
NaFeSO4F | ICSD | 262276 | C2/c (15) | ✔ | 16 | 108 | 3 | 0.1321 | 0.161 | 0.000 | (0;000) | ✗ | 27/01/17 |
KIO3 | ICSD | 28545 | Pm-3m (221) | ✔ | 5 | 34 | 3 | 0.0 | 0.091 | 0.116 | (1;111) | ✗ | 30/01/17 |
ZrNi | ICSD | 105478 | Ccmm (63) | ✔ | 4 | 44 | 3 | 0.0 | 0.007 | 0.409 | (1;000) | ✗ | 06/10/16 |
KNb4O5F | ICSD | 88880 | P4/mmm (123) | ✔ | 11 | 98 | 3 | 0.0 | 0.004 | 0.604 | (0;000) | ✗ | 27/01/17 |
HgF | COD | 9008977 | I4/mmm (139) | ✔ | 4 | 38 | 3 | 1.3468 | 2.235 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiNi2 | ICSD | 105342 | P6_3/mmc (194) | ✔ | 6 | 48 | 3 | 0.0 | 0.004 | 0.711 | (0;000) | ✗ | 06/10/16 |
FeSO4F | ICSD | 182945 | C2/c (15) | ✔ | 14 | 90 | 3 | 0.0 | 0.001 | 0.521 | (1;100) | ✗ | 27/01/17 |
F2 | ICSD | 16262 | C2/c (15) | ✔ | 4 | 28 | 1 | 1.3602 | 1.360 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ni3Sn | ICSD | 646747 | Pmmn (59) | ✔ | 8 | 88 | 3 | 0.0 | 0.014 | 0.443 | (0;010) | ✗ | 27/01/17 |
MgHOF | ICSD | 186501 | Pnma (62) | ✔ | 16 | 96 | 3 | 4.8158 | 4.816 | 0.000 | (0;000) | ✗ | 27/01/17 |
YSeO3F | ICSD | 251183 | P2_1/m (11) | ✔ | 12 | 84 | 3 | 4.006 | 4.135 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrMnPF | ICSD | 189939 | P4/nmm (129) | ✔ | 8 | 74 | 1 | 0.0 | 0.000 | 0.872 | (0;001) | ✗ | 27/01/17 |
Mg2NF | ICSD | 262327 | I4_1/amd (141) | ✔ | 8 | 64 | 3 | 2.2789 | 2.355 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ni4W | ICSD | 105452 | I4/m (87) | ✔ | 5 | 54 | 3 | 0.0 | 0.023 | 0.698 | (1;000) | ✗ | 06/10/16 |
KSO2F | ICSD | 93058 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 4.566 | 4.574 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaMgSO4F | ICSD | 262272 | C2/c (15) | ✔ | 16 | 112 | 3 | 5.6507 | 5.651 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ti4O5 | ICSD | 174033 | I4/m (87) | ✔ | 9 | 78 | 3 | 0.0 | 0.003 | 0.821 | (1;111) | ✗ | 06/10/16 |
Mg2NF | COD | 1528308 | I4_1/amd (141) | ✔ | 8 | 64 | 3 | 0.0 | 0.039 | 0.077 | (1;111) | ✗ | 27/01/17 |
ScSeO3F | ICSD | 251184 | P-1 (2) | ✔ | 12 | 84 | 3 | 3.8993 | 3.981 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaYPO4F | ICSD | 51463 | C2/m (12) | ✔ | 16 | 112 | 3 | 5.7036 | 5.731 | 0.000 | (0;000) | ✗ | 27/01/17 |
PbO | ICSD | 15402 | Pmab (57) | ✔ | 8 | 80 | 2 | 1.8544 | 2.040 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrMnSbF | ICSD | 189941 | P4/nmm (129) | ✔ | 8 | 74 | 1 | 0.0 | 0.000 | 0.875 | (1;001) | ✗ | 27/01/17 |
RbSO2F | ICSD | 89603 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 4.7165 | 4.722 | 0.000 | (0;000) | ✗ | 27/01/17 |
PbO | ICSD | 62846 | P4/nmm (129) | ✔ | 4 | 40 | 2 | 1.1693 | 2.163 | 0.000 | (0;000) | ✗ | 06/10/16 |
NaZnSO4F | ICSD | 262274 | C2/c (15) | ✔ | 16 | 116 | 3 | 4.4205 | 4.421 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ga2NiS4 | ICSD | 634901 | P-3m1 (164) | ✔ | 7 | 60 | 2 | 0.0 | 0.002 | 0.591 | (0;000) | ✗ | 27/01/17 |
RbF | COD | 9008708 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 5.7132 | 5.782 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScOF | ICSD | 100564 | P2_1/c (14) | ✔ | 12 | 96 | 3 | 4.571 | 4.696 | 0.000 | (0;000) | ✗ | 27/01/17 |
F2 | COD | 9012471 | C2/m (12) | ✔ | 2 | 14 | 1 | 2.5205 | 2.521 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ta4O | ICSD | 76022 | Pmmm (47) | ✔ | 5 | 58 | 3 | 0.0 | 0.040 | 0.441 | (0;111) | ✗ | 27/01/17 |
F2 | COD | 2100647 | R-3c (167) | ✔ | 8 | 56 | 3 | 0.0 | 0.007 | 0.700 | (0;000) | ✗ | 27/01/17 |
SbOF | COD | 1528321 | Pnma (62) | ✔ | 12 | 72 | 1 | 0.0 | 3.503 | 1.000 | (0;000) | ✗ | 27/01/17 |
TlIO3 | ICSD | 76967 | Pm-3m (221) | ✔ | 5 | 38 | 3 | 0.0 | 0.292 | 0.119 | (1;111) | ✗ | 30/01/17 |
PtO2 | ICSD | 202407 | Pmnn (58) | ✔ | 6 | 44 | 3 | 0.4791 | 0.746 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrZnPF | COD | 7203808 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.8953 | 0.895 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScOF | COD | 1525435 | P2_1/c (14) | ✔ | 12 | 96 | 3 | 1.0872 | 1.093 | 0.000 | (0;000) | ✗ | 27/01/17 |
RuO2 | ICSD | 290495 | Pmnn (58) | ✔ | 6 | 56 | 3 | 0.0 | 0.041 | 0.284 | (0;000) | ✗ | 06/10/16 |
TiPd | ICSD | 167649 | P2_1/m (11) | ✔ | 4 | 44 | 3 | 0.0 | 0.000 | 0.849 | (0;000) | ✔ | 06/10/16 |
YOF | COD | 2106385 | R-3m (166) | ✔ | 6 | 48 | 3 | 4.9065 | 4.907 | 0.000 | (0;000) | ✗ | 27/01/17 |