▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Zr7As4 | ICSD | 611614 | C2/m (12) | ✔ | 22 | 96 | 3 | 0.0 | 0.008 | 0.833 | (0;001) | ✗ | 07/08/17 |
KSc(MoO4)2 | ICSD | 28019 | P-3m1 (164) | ✔ | 12 | 96 | 3 | 3.0812 | 3.081 | 0.000 | (0;000) | ✗ | 02/02/17 |
AlPO4 | COD | 9006415 | P6_222 (180) | ✗ | 18 | 96 | 3 | 5.9031 | 5.917 | 0.000 | (0;000) | ✗ | 16/03/17 |
BAsO4 | ICSD | 413436 | P3_121 (152) | ✗ | 18 | 96 | 3 | 4.7353 | 4.824 | 0.000 | (0;000) | ✗ | 15/02/17 |
H2C4O5 | COD | 2102818 | C2/c (15) | ✔ | 22 | 96 | 1 | 0.0 | 0.003 | 0.172 | (0;000) | ✗ | 04/08/17 |
FeN3ClO3 | ICSD | 281495 | P6_3mc (186) | ✗ | 16 | 96 | 1 | 1.311 | 1.369 | 0.000 | (0;000) | ✗ | 22/03/17 |
Cs3Mg2Cl7 | ICSD | 66828 | I4/mmm (139) | ✔ | 12 | 96 | 3 | 4.7144 | 4.868 | 0.000 | (0;000) | ✗ | 22/03/17 |
Li4TeO5 | COD | 1530934 | P-1 (2) | ✔ | 20 | 96 | 3 | 0.0 | 0.023 | 0.455 | (0;000) | ✗ | 29/03/17 |
NaH3SO5 | COD | 9012547 | Cc (9) | ✗ | 20 | 96 | 1 | 5.3572 | 5.366 | 0.000 | (0;000) | ✗ | 29/03/17 |
Ca7(H6Cl)2 | ICSD | 420927 | P-6 (174) | ✗ | 21 | 96 | 1 | 3.6609 | 3.728 | 0.000 | (0;000) | ✗ | 04/08/17 |
BPO4 | COD | 8103470 | P3_121 (152) | ✗ | 18 | 96 | 3 | 7.469 | 7.603 | 0.000 | (0;000) | ✗ | 15/02/17 |
K3Na(SeO4)2 | COD | 2101023 | P-3m1 (164) | ✔ | 14 | 96 | 1 | 4.281 | 4.343 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrGeO3 | ICSD | 28603 | P-62m (189) | ✗ | 15 | 96 | 1 | 1.7626 | 1.776 | 0.000 | (0;000) | ✗ | 22/03/17 |
NaGeSbO5 | ICSD | 39646 | C2/c (15) | ✔ | 16 | 96 | 3 | 2.5211 | 2.521 | 0.000 | (0;000) | ✗ | 22/03/17 |
KNaTe | ICSD | 67276 | Pnma (62) | ✔ | 12 | 96 | 1 | 1.7998 | 1.800 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiO2 | ICSD | 183701 | I-43m (217) | ✗ | 18 | 96 | 3 | 5.706 | 5.711 | 0.000 | (0;000) | ✗ | 29/03/17 |
KTcO4 | COD | 1501467 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 1.4113 | 0.145 | 1.000 | (0;000) | ✗ | 10/04/17 |
KReO4 | COD | 2106705 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 4.3067 | 4.307 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2SrTa2O7 | ICSD | 93492 | I4/mmm (139) | ✔ | 12 | 96 | 1 | 2.1211 | 2.584 | 0.000 | (0;000) | ✗ | 29/03/17 |
YF3 | COD | 1011296 | Pm-3m (221) | ✔ | 12 | 96 | 3 | 4.7827 | 4.951 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsNa2BO3 | ICSD | 67524 | Pmmn (59) | ✔ | 14 | 96 | 1 | 3.5967 | 3.648 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCl2 | COD | 1527182 | Pnma (62) | ✔ | 12 | 96 | 1 | 4.8999 | 4.900 | 0.000 | (0;000) | ✗ | 02/02/17 |
NCl | COD | 9014419 | Pa3 (205) | ✔ | 16 | 96 | 1 | 0.0 | 0.005 | 0.742 | (1;000) | ✗ | 02/02/17 |
TiO2 | COD | 9015355 | P2_1/c (14) | ✔ | 12 | 96 | 3 | 1.2133 | 1.213 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiCoF4 | COD | 1000261 | P2_1/c (14) | ✔ | 12 | 96 | 2 | 0.0757 | 0.121 | 0.000 | (0;000) | ✗ | 27/01/17 |
GaAu | ICSD | 58457 | Pmnb (62) | ✔ | 8 | 96 | 3 | 0.0 | 0.094 | 0.370 | (1;000) | ✗ | 06/10/16 |
Be2Ru | ICSD | 616410 | P6_3/mmc (194) | ✔ | 12 | 96 | 1 | 0.0 | 0.003 | 0.511 | (0;000) | ✗ | 02/02/17 |
CsC2I3N2 | ICSD | 32521 | Pmmn (59) | ✔ | 16 | 96 | 1 | 3.0749 | 3.166 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsAuF4 | ICSD | 152056 | Immm (71) | ✔ | 12 | 96 | 2 | 2.2813 | 2.467 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca2Si | ICSD | 191034 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.3204 | 0.320 | 0.000 | (0;000) | ✗ | 02/02/17 |
PdSeO4 | ICSD | 416646 | C2/c (15) | ✔ | 12 | 96 | 3 | 1.2734 | 1.404 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaAlH2CO5 | ICSD | 100140 | Imma (74) | ✔ | 20 | 96 | 2 | 5.0073 | 5.163 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2Ca(NO2)4 | ICSD | 85505 | C2/m (12) | ✔ | 15 | 96 | 1 | 0.0 | 0.009 | 0.648 | (1;001) | ✗ | 02/02/17 |
CaMgSi | COD | 4000954 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.012 | 0.072 | (0;000) | ✗ | 02/02/17 |
Re3B | ICSD | 191913 | Cmcm (63) | ✔ | 8 | 96 | 3 | 0.0 | 0.022 | 0.653 | (1;000) | ✗ | 06/10/16 |
NbReSi | ICSD | 645257 | P-62m (189) | ✗ | 9 | 96 | 3 | 0.0 | 0.000 | 0.660 | ? | ✗ | 06/10/16 |
V3PC | ICSD | 618621 | Cmcm (63) | ✔ | 10 | 96 | 3 | 0.0 | 0.003 | 0.568 | (0;000) | ✗ | 27/01/17 |
BaHClO | ICSD | 74721 | Pnma (62) | ✔ | 16 | 96 | 1 | 5.0229 | 5.024 | 0.000 | (0;000) | ✗ | 02/02/17 |
NiMoO4 | ICSD | 81060 | P2/c (13) | ✔ | 12 | 96 | 3 | 0.0 | 0.014 | 0.472 | (0;110) | ✗ | 27/01/17 |
Mg2SiO4 | COD | 9000274 | Pbam (55) | ✔ | 14 | 96 | 3 | 4.3337 | 4.334 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cu2PbO2 | ICSD | 400657 | C2/c (15) | ✔ | 10 | 96 | 3 | 0.7561 | 0.900 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2Pd3Se4 | ICSD | 33892 | Fmmm (69) | ✔ | 9 | 96 | 1 | 1.0442 | 1.135 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2Pd3S4 | ICSD | 26250 | C2/m (12) | ✔ | 9 | 96 | 1 | 1.4138 | 1.552 | 0.000 | (0;000) | ✗ | 02/02/17 |
TiMnAs | ICSD | 610927 | P-62m (189) | ✗ | 9 | 96 | 3 | 0.0 | 0.000 | 0.763 | ? | ✗ | 06/10/16 |
BiBr | ICSD | 1560 | C2/m (12) | ✔ | 16 | 96 | 2 | 0.3125 | 0.313 | 0.000 | (0;000) | ✗ | 06/10/16 |
Mg2SiO4 | COD | 9001573 | Fd-3m (227) | ✔ | 14 | 96 | 3 | 5.08 | 5.081 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrMoO4 | COD | 4001306 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 3.7616 | 3.762 | 0.000 | (0;000) | ✗ | 27/01/17 |
BiI | ICSD | 1558 | C2/m (12) | ✔ | 16 | 96 | 1 | 0.1374 | 0.153 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrMoO4 | ICSD | 248458 | I4_1/a (88) | ✔ | 12 | 96 | 3 | 0.0 | 0.008 | 0.161 | (1;111) | ✗ | 27/01/17 |
Ag2PbO2 | COD | 1509690 | C2/c (15) | ✔ | 10 | 96 | 3 | 0.9851 | 1.337 | 0.000 | (0;000) | ✗ | 05/01/17 |