▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HgSO4 | ICSD | 28402 | Pc (7) | ✗ | 12 | 84 | 3 | 0.9664 | 1.331 | 0.000 | (0;000) | ✗ | 06/10/16 |
KPt2Se3 | ICSD | 69438 | R-3m (166) | ✔ | 12 | 94 | 2 | 0.768 | 0.768 | 0.000 | (0;000) | ✗ | 02/02/17 |
KRbS | ICSD | 72326 | Pnma (62) | ✔ | 12 | 96 | 1 | 2.3309 | 2.331 | 0.000 | (0;000) | ✗ | 02/02/17 |
HgSO4 | ICSD | 31870 | Pnm2_1 (31) | ✗ | 12 | 84 | 3 | 1.2801 | 1.709 | 0.000 | (0;000) | ✗ | 06/10/16 |
HgSeO4 | ICSD | 412403 | Pnm2_1 (31) | ✗ | 12 | 84 | 3 | 1.0293 | 1.345 | 0.000 | (0;000) | ✗ | 06/10/16 |
CuS2 | COD | 9000742 | Pa3 (205) | ✔ | 12 | 92 | 3 | 0.0 | 0.000 | 0.749 | (0;111) | ✗ | 27/01/17 |
Hg2TeO3 | ICSD | 203064 | P2cm (28) | ✗ | 12 | 96 | 3 | 1.6381 | 2.000 | 0.000 | (0;000) | ✗ | 06/10/16 |
ScSiCu | ICSD | 86391 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.029 | 0.292 | (1;000) | ✗ | 27/01/17 |
NaClO4 | COD | 1010214 | Cmcm (63) | ✔ | 12 | 80 | 1 | 3.4632 | 3.634 | 0.000 | (0;000) | ✗ | 27/01/17 |
KSn2 | ICSD | 190812 | P6_3/mmc (194) | ✔ | 12 | 148 | 3 | 0.0 | 0.001 | 0.735 | (0;000) | ✗ | 02/02/17 |
Na3Co2SbO6 | ICSD | 245538 | C2/m (12) | ✔ | 12 | 102 | 2 | 0.0 | 0.015 | 0.370 | (0;000) | ✗ | 27/01/17 |
NiMoO4 | ICSD | 81060 | P2/c (13) | ✔ | 12 | 96 | 3 | 0.0 | 0.014 | 0.472 | (0;110) | ✗ | 27/01/17 |
ZnMoO4 | COD | 2240887 | P2/c (13) | ✔ | 12 | 100 | 3 | 2.2669 | 2.267 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiSiCu | ICSD | 629204 | Pnma (62) | ✔ | 12 | 108 | 3 | 0.0 | 0.000 | 0.330 | (1;011) | ✗ | 27/01/17 |
POsS | ICSD | 647714 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.8312 | 1.100 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrMoO4 | ICSD | 248458 | I4_1/a (88) | ✔ | 12 | 96 | 3 | 0.0 | 0.008 | 0.161 | (1;111) | ✗ | 27/01/17 |
SrMoO4 | COD | 4001306 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 3.7616 | 3.762 | 0.000 | (0;000) | ✗ | 27/01/17 |
KTlCl4 | COD | 1527421 | I4_1/a (88) | ✔ | 12 | 100 | 1 | 2.6111 | 2.611 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrSiCu | ICSD | 87198 | Pnma (62) | ✔ | 12 | 76 | 3 | 0.0 | 0.000 | 0.324 | (0;011) | ✗ | 27/01/17 |
CuS | COD | 9008372 | P6_3/mmc (194) | ✔ | 12 | 102 | 3 | 0.0 | 0.000 | 0.929 | (1;000) | ✗ | 27/01/17 |
SrInAu | ICSD | 391422 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.069 | 0.359 | (1;000) | ✗ | 02/02/17 |
Ta3AlC2 | COD | 4307745 | P6_3/mmc (194) | ✔ | 12 | 100 | 3 | 0.0 | 0.051 | 0.053 | (1;000) | ✗ | 27/01/17 |
Ti3AlC2 | COD | 7221324 | P6_3/mmc (194) | ✔ | 12 | 94 | 3 | 0.0 | 0.000 | 0.995 | (1;000) | ✗ | 27/01/17 |
CsAuF4 | ICSD | 152056 | Immm (71) | ✔ | 12 | 96 | 2 | 2.2813 | 2.467 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaLiSe | ICSD | 67359 | Pnma (62) | ✔ | 12 | 72 | 1 | 2.3789 | 2.379 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaLiTe | ICSD | 67274 | Pnma (62) | ✔ | 12 | 72 | 1 | 1.9514 | 1.951 | 0.000 | (0;000) | ✗ | 02/02/17 |
MoCl4O | COD | 4031499 | P-1 (2) | ✔ | 12 | 96 | 2 | 1.29 | 1.363 | 0.000 | (0;000) | ✗ | 02/02/17 |
VNCl4 | ICSD | 28128 | P-1 (2) | ✔ | 12 | 92 | 1 | 1.1219 | 1.234 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrZnCl4 | ICSD | 410191 | I4_1/a (88) | ✔ | 12 | 100 | 1 | 4.4129 | 4.413 | 0.000 | (0;000) | ✗ | 02/02/17 |
MoPRu | COD | 1532784 | Pnma (62) | ✔ | 12 | 140 | 3 | 0.0 | 0.000 | 0.713 | (0;011) | ✗ | 27/01/17 |
MoCl5 | COD | 2101942 | P-1 (2) | ✔ | 12 | 98 | 1 | 0.0 | 0.004 | 0.377 | (1;111) | ✗ | 02/02/17 |
Rb3BP2 | COD | 8103471 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.6726 | 2.002 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsAuO | COD | 1510102 | I4/mmm (139) | ✔ | 12 | 104 | 2 | 1.8084 | 1.808 | 0.000 | (0;000) | ✗ | 02/02/17 |
MgF2 | COD | 1526236 | Pa3 (205) | ✔ | 12 | 96 | 3 | 7.909 | 7.909 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbLiO | ICSD | 65170 | Pnma (62) | ✔ | 12 | 72 | 1 | 2.4363 | 2.466 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaC2 | COD | 1010500 | Pn-3m (224) | ✔ | 12 | 72 | 1 | 1.7564 | 2.259 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiSn4Rh | ICSD | 412251 | I4/mcm (140) | ✔ | 12 | 152 | 3 | 0.0 | 0.006 | 0.402 | (0;000) | ✗ | 02/02/17 |
LiSn4Ru | ICSD | 412250 | I4/mcm (140) | ✔ | 12 | 150 | 3 | 0.0 | 0.000 | 0.496 | (1;111) | ✗ | 02/02/17 |
SrLiSb | COD | 1528545 | Pnma (62) | ✔ | 12 | 72 | 1 | 0.4973 | 0.497 | 0.000 | (0;000) | ✗ | 02/02/17 |
OsS2 | COD | 9008419 | Pa3 (205) | ✔ | 12 | 112 | 3 | 0.0312 | 0.145 | 0.000 | (0;000) | ✗ | 27/01/17 |
SbSI | ICSD | 26924 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.4207 | 1.565 | 0.000 | (0;000) | ✗ | 06/10/16 |
SbSI | ICSD | 28263 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.4604 | 1.638 | 0.000 | (0;000) | ✗ | 06/10/16 |
Mg2Pb | ICSD | 642744 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.031 | 0.506 | (1;000) | ✗ | 02/02/17 |
RbAuF4 | COD | 1510144 | I4/mcm (140) | ✔ | 12 | 96 | 1 | 1.9704 | 1.977 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrMg2 | COD | 4311325 | P6_3/mmc (194) | ✔ | 12 | 120 | 1 | 0.0 | 0.003 | 0.568 | (1;000) | ✗ | 02/02/17 |
YMg2 | ICSD | 642908 | P6_3/mmc (194) | ✔ | 12 | 124 | 3 | 0.0 | 0.000 | 0.803 | (1;000) | ✗ | 02/02/17 |
YMg2 | COD | 1522922 | P6_3/mmc (194) | ✔ | 12 | 124 | 1 | 0.0 | 0.000 | 0.439 | (0;000) | ✗ | 02/02/17 |
SbSI | ICSD | 28264 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.3387 | 1.481 | 0.000 | (0;000) | ✗ | 06/10/16 |
KAuF4 | COD | 1510138 | I4/mcm (140) | ✔ | 12 | 96 | 1 | 2.2533 | 2.253 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbSI | ICSD | 28304 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.4081 | 1.570 | 0.000 | (0;000) | ✗ | 06/10/16 |
CuAuSe4 | COD | 4331413 | P2_1/m (11) | ✔ | 12 | 92 | 3 | 0.0 | 0.639 | 0.074 | (0;000) | ✗ | 02/02/17 |
SbSI | ICSD | 28306 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.3559 | 1.468 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiAuI4 | COD | 1510187 | P2_1/c (14) | ✔ | 12 | 84 | 1 | 0.4995 | 0.624 | 0.000 | (0;000) | ✗ | 02/02/17 |
N2O | COD | 1010149 | Pn-3m (224) | ✔ | 12 | 64 | 3 | 0.0 | 0.004 | 0.551 | (0;000) | ✗ | 27/01/17 |
SbSI | ICSD | 41589 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.3524 | 1.490 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ti3GeC2 | ICSD | 180428 | P6_3/mmc (194) | ✔ | 12 | 96 | 3 | 0.0 | 0.015 | 0.413 | (1;000) | ✗ | 27/01/17 |
SbSI | ICSD | 85298 | P2_12_12_1 (19) | ✗ | 12 | 72 | 3 | 0.9316 | 1.107 | 0.000 | (0;000) | ✗ | 06/10/16 |
SbSI | ICSD | 85299 | P2_12_12_1 (19) | ✗ | 12 | 72 | 3 | 0.9264 | 1.109 | 0.000 | (0;000) | ✗ | 06/10/16 |
SbSI | ICSD | 85300 | P2_12_12_1 (19) | ✗ | 12 | 72 | 3 | 0.9346 | 1.110 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrMgPb | ICSD | 642747 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.019 | 0.113 | (0;000) | ✗ | 02/02/17 |
VO2 | ICSD | 1501 | P-1 (2) | ✔ | 12 | 100 | 2 | 0.0 | 0.011 | 0.534 | (1;001) | ✗ | 06/10/16 |
ZrPOs | ICSD | 647720 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.001 | 0.549 | (1;011) | ✗ | 27/01/17 |
SrMgPt | ICSD | 426614 | Pnma (62) | ✔ | 12 | 120 | 3 | 0.0 | 0.031 | 0.481 | (1;000) | ✗ | 02/02/17 |
MgSn4Ru | ICSD | 412492 | I4/mcm (140) | ✔ | 12 | 164 | 3 | 0.0 | 0.011 | 0.263 | (0;000) | ✗ | 02/02/17 |
N2O | COD | 1010059 | Pa3 (205) | ✔ | 12 | 64 | 1 | 3.5955 | 3.773 | 0.000 | (0;000) | ✗ | 27/01/17 |
SbCl5 | ICSD | 412111 | P6_3/mmc (194) | ✔ | 12 | 80 | 1 | 1.8539 | 1.854 | 0.000 | (0;000) | ✗ | 02/02/17 |
MgSe2 | ICSD | 642815 | Pa3 (205) | ✔ | 12 | 88 | 3 | 1.5797 | 1.703 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaGaH4 | ICSD | 67309 | Cmcm (63) | ✔ | 12 | 52 | 1 | 4.9199 | 5.162 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrMgSn | COD | 1523525 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.011 | 0.116 | (0;000) | ✗ | 02/02/17 |
MgTe2 | ICSD | 41733 | Pa3 (205) | ✔ | 12 | 88 | 3 | 1.0933 | 1.093 | 0.000 | (0;000) | ✗ | 02/02/17 |
CoS2 | COD | 9007682 | Pa3 (205) | ✔ | 12 | 116 | 3 | 0.0 | 0.000 | 0.653 | (0;111) | ✗ | 27/01/17 |
YMn2 | ICSD | 643877 | P6_3/mmc (194) | ✔ | 12 | 164 | 3 | 0.0 | 0.004 | 0.699 | (0;000) | ✗ | 02/02/17 |
OsS2 | ICSD | 647750 | Pa3 (205) | ✔ | 12 | 112 | 3 | 0.0 | 0.034 | 0.187 | (1;000) | ✗ | 06/10/16 |
MnF2 | ICSD | 20365 | Pbcn (60) | ✔ | 12 | 116 | 3 | 0.0 | 0.000 | 0.446 | (1;101) | ✗ | 27/01/17 |
Li3AuS2 | COD | 4319430 | Ibam (72) | ✔ | 12 | 64 | 1 | 1.7845 | 1.785 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbCoO4 | COD | 2002264 | C2/m (12) | ✔ | 12 | 108 | 3 | 0.1218 | 0.163 | 0.000 | (0;000) | ✗ | 27/01/17 |
SbI3(BrCl3)2 | ICSD | 26404 | P-1 (2) | ✔ | 12 | 82 | 1 | 1.0807 | 1.099 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ti3SiC2 | COD | 1520829 | P6_3/mmc (194) | ✔ | 12 | 96 | 3 | 0.0 | 0.013 | 0.484 | (1;000) | ✗ | 27/01/17 |
CoSO4 | ICSD | 16986 | Cmcm (63) | ✔ | 12 | 94 | 3 | 0.0 | 0.000 | 0.596 | (0;000) | ✗ | 27/01/17 |
KPAuSe3 | ICSD | 165322 | C2/m (12) | ✔ | 12 | 86 | 1 | 1.0257 | 1.089 | 0.000 | (0;000) | ✗ | 02/02/17 |
PbF2 | COD | 2310346 | Pnma (62) | ✔ | 12 | 112 | 3 | 3.9763 | 4.204 | 0.000 | (0;000) | ✗ | 27/01/17 |
KNa2AuO2 | ICSD | 61226 | Pnnm (58) | ✔ | 12 | 100 | 1 | 1.9334 | 1.963 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na3AuS2 | COD | 1510251 | R-3c (167) | ✔ | 12 | 100 | 1 | 2.363 | 2.771 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiAuS | COD | 4319429 | Fddd (70) | ✔ | 12 | 80 | 3 | 1.05 | 1.050 | 0.000 | (0;000) | ✗ | 02/02/17 |
PdF2 | COD | 1008245 | Pa3 (205) | ✔ | 12 | 128 | 3 | 0.0 | 0.000 | 0.323 | (0;000) | ✗ | 27/01/17 |
Ca4Ni3C5 | ICSD | 71440 | C2/m (12) | ✔ | 12 | 90 | 2 | 0.0 | 0.047 | 0.184 | (0;000) | ✗ | 27/01/17 |
RbNa2AuO2 | ICSD | 411460 | Pnnm (58) | ✔ | 12 | 100 | 1 | 2.0377 | 2.050 | 0.000 | (0;000) | ✗ | 02/02/17 |
Mg2Au | COD | 1510233 | Pnma (62) | ✔ | 12 | 124 | 3 | 0.0 | 0.002 | 0.777 | (0;011) | ✗ | 02/02/17 |
Na4TlAu | ICSD | 107428 | Fmmm (69) | ✔ | 12 | 120 | 1 | 0.0 | 0.010 | 0.653 | (0;000) | ✗ | 02/02/17 |
Ca2CrN3 | COD | 7012864 | P-1 (2) | ✔ | 12 | 98 | 1 | 0.9093 | 1.042 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na2SO3 | COD | 1010523 | P-3 (147) | ✔ | 12 | 84 | 1 | 4.0495 | 4.171 | 0.000 | (0;000) | ✗ | 27/01/17 |
SnPd2 | ICSD | 42595 | Pnma (62) | ✔ | 12 | 200 | 3 | 0.0 | 0.027 | 0.491 | (0;000) | ✗ | 27/01/17 |
TlPAuSe3 | COD | 4000517 | C2/m (12) | ✔ | 12 | 94 | 1 | 0.8936 | 1.034 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbAuO | COD | 8101135 | I4/mmm (139) | ✔ | 12 | 104 | 0 | 0.0 | 0.004 | 0.611 | (1;000) | ✗ | 02/02/17 |
P2Pt | COD | 9015563 | Pa3 (205) | ✔ | 12 | 80 | 3 | 1.0589 | 1.460 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaSnAu | COD | 1510245 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.005 | 0.359 | (1;000) | ✗ | 02/02/17 |
P2Rh | ICSD | 42615 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.6698 | 0.670 | 0.000 | (0;000) | ✗ | 27/01/17 |
MnS2 | COD | 9008044 | Pa3 (205) | ✔ | 12 | 108 | 3 | 0.0 | 0.000 | 0.709 | (0;111) | ✗ | 02/02/17 |
SrPIr | ICSD | 155712 | P2_13 (198) | ✗ | 12 | 96 | 3 | 0.0 | 0.000 | 0.533 | ? | ✗ | 06/10/16 |
LiCN | COD | 9008984 | Pnma (62) | ✔ | 12 | 48 | 1 | 5.7574 | 5.757 | 0.000 | (0;000) | ✗ | 02/02/17 |