▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Fe3O4 | COD | 9002332 | Cmcm (63) | ✔ | 14 | 96 | 3 | 0.0 | 0.002 | 0.831 | (1;000) | ✗ | 27/01/17 |
Pb2ClOF | COD | 9012904 | Cmme (67) | ✔ | 10 | 96 | 2 | 2.3301 | 2.444 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaCl2 | ICSD | 56769 | Pbcn (60) | ✔ | 12 | 96 | 1 | 5.5921 | 5.702 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3AlO3 | ICSD | 166540 | C2/m (12) | ✔ | 14 | 96 | 1 | 2.8531 | 2.861 | 0.000 | (0;000) | ✗ | 30/01/17 |
MoCl4O | COD | 4031499 | P-1 (2) | ✔ | 12 | 96 | 2 | 1.29 | 1.363 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2TiO3 | ICSD | 162216 | Cmcm (63) | ✔ | 12 | 96 | 1 | 3.5812 | 3.581 | 0.000 | (0;000) | ✗ | 27/01/17 |
WO3 | COD | 1004057 | P6/mmm (191) | ✔ | 12 | 96 | 3 | 0.5769 | 1.475 | 0.000 | (0;000) | ✗ | 27/01/17 |
PdSO4 | ICSD | 79559 | C2/c (15) | ✔ | 12 | 96 | 3 | 1.1467 | 1.229 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaI2 | COD | 1527184 | Pnma (62) | ✔ | 12 | 96 | 1 | 2.9738 | 2.974 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaGePt | COD | 1527356 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.054 | 0.521 | (1;000) | ✗ | 02/02/17 |
MgCrO4 | COD | 1008083 | Cmcm (63) | ✔ | 12 | 96 | 3 | 2.3153 | 2.398 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaCa2Mg(SiO4)2 | ICSD | 422406 | P-3 (147) | ✔ | 14 | 96 | 3 | 5.2458 | 5.351 | 0.000 | (0;000) | ✗ | 05/01/17 |
ScOF | COD | 1525435 | P2_1/c (14) | ✔ | 12 | 96 | 3 | 1.0872 | 1.093 | 0.000 | (0;000) | ✗ | 27/01/17 |
YMgCu | ICSD | 163695 | P-62m (189) | ✗ | 9 | 96 | 3 | 0.0 | 0.000 | 0.899 | ? | ✗ | 06/10/16 |
ScOF | ICSD | 100564 | P2_1/c (14) | ✔ | 12 | 96 | 3 | 4.571 | 4.696 | 0.000 | (0;000) | ✗ | 27/01/17 |
Tl2GeS3 | ICSD | 2240 | P-1 (2) | ✔ | 12 | 96 | 1 | 1.5977 | 1.697 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2GeS4 | ICSD | 23420 | P2_1/m (11) | ✔ | 14 | 96 | 1 | 2.4357 | 2.493 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca3Zn2(CuP2)2 | ICSD | 89515 | P-3m1 (164) | ✔ | 11 | 96 | 2 | 0.0 | 0.092 | 0.010 | (0;000) | ✗ | 02/02/17 |
BaF2 | ICSD | 41650 | Pnma (62) | ✔ | 12 | 96 | 1 | 7.3138 | 7.314 | 0.000 | (0;000) | ✗ | 05/01/17 |
Tl2GeSe3 | ICSD | 35043 | P-1 (2) | ✔ | 12 | 96 | 2 | 1.0351 | 1.142 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsK2Sc(PO4)2 | ICSD | 61787 | P-3m1 (164) | ✔ | 14 | 96 | 3 | 4.3143 | 4.408 | 0.000 | (0;000) | ✗ | 02/02/17 |
YRh5 | COD | 1523668 | P6/mmm (191) | ✔ | 6 | 96 | 3 | 0.0 | 0.005 | 0.709 | (0;000) | ✗ | 27/01/17 |
NaCSN | ICSD | 22273 | Pnma (62) | ✔ | 16 | 96 | 1 | 4.1244 | 4.235 | 0.000 | (0;000) | ✗ | 02/02/17 |
YAlPt | ICSD | 609165 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.048 | 0.476 | (1;000) | ✗ | 30/01/17 |
BaNa2Mg(PO4)2 | ICSD | 424073 | P-3m1 (164) | ✔ | 14 | 96 | 2 | 5.1468 | 5.169 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaSr2Mg(SiO4)2 | ICSD | 247861 | P-3m1 (164) | ✔ | 14 | 96 | 3 | 5.056 | 5.149 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaNiGe | COD | 4335167 | Pnma (62) | ✔ | 12 | 96 | 2 | 0.0 | 0.009 | 0.223 | (1;000) | ✗ | 02/02/17 |
Sr(HO)2 | ICSD | 15167 | Pnma (62) | ✔ | 20 | 96 | 1 | 3.9041 | 4.028 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrCN2 | ICSD | 75040 | Pnma (62) | ✔ | 16 | 96 | 1 | 3.7125 | 4.317 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaSiN2 | COD | 4311195 | Cmce (64) | ✔ | 16 | 96 | 1 | 3.0265 | 3.093 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2Ge(TeSe)2 | ICSD | 414165 | P2_1/m (11) | ✔ | 14 | 96 | 1 | 0.8686 | 0.869 | 0.000 | (0;000) | ✗ | 02/02/17 |
YTaO4 | COD | 1530908 | P2/c (13) | ✔ | 12 | 96 | 3 | 2.4657 | 2.660 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaSiO3 | COD | 9010192 | R-3m (166) | ✔ | 15 | 96 | 3 | 3.4421 | 3.543 | 0.000 | (0;000) | ✗ | 05/01/17 |
CdS2 | ICSD | 620305 | Pa3 (205) | ✔ | 12 | 96 | 3 | 0.6904 | 0.690 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaMoO4 | COD | 2300459 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 4.5904 | 4.590 | 0.000 | (0;000) | ✗ | 02/02/17 |
KNaTiO3 | ICSD | 47177 | C2/c (15) | ✔ | 12 | 96 | 1 | 3.7164 | 3.740 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScVO4 | COD | 4501809 | I4_1/amd (141) | ✔ | 12 | 96 | 3 | 2.6191 | 2.619 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba2Ge | ICSD | 25351 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.0 | 0.008 | 0.019 | (1;000) | ✗ | 02/02/17 |
ReH4NO4 | ICSD | 1394 | I4_1/a (88) | ✔ | 20 | 96 | 1 | 4.2132 | 4.213 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsReO4 | ICSD | 72817 | I4_1/amd (141) | ✔ | 12 | 96 | 1 | 4.7877 | 4.788 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na3BS3 | COD | 1511253 | C2/c (15) | ✔ | 14 | 96 | 1 | 2.5788 | 2.726 | 0.000 | (0;000) | ✗ | 02/02/17 |
YTaO4 | ICSD | 109190 | C2/c (15) | ✔ | 12 | 96 | 3 | 4.321 | 4.479 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbI5 | ICSD | 10457 | P-1 (2) | ✔ | 12 | 96 | 1 | 0.0 | 0.048 | 0.113 | (0;111) | ✗ | 06/10/16 |
Ba2GeSe4 | ICSD | 414166 | P2_1/m (11) | ✔ | 14 | 96 | 1 | 1.4911 | 1.491 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2Be2PbF8 | ICSD | 9902 | R-3m (166) | ✔ | 13 | 96 | 1 | 4.8662 | 4.960 | 0.000 | (0;000) | ✗ | 05/01/17 |
CsRe | COD | 9015216 | Pnma (62) | ✔ | 8 | 96 | 1 | 0.0 | 0.006 | 0.325 | (0;000) | ✗ | 02/02/17 |
CdSe2 | ICSD | 620416 | Pa3 (205) | ✔ | 12 | 96 | 3 | 0.4947 | 0.650 | 0.000 | (0;000) | ✗ | 02/02/17 |
VPO5 | ICSD | 108983 | P4/n (85) | ✔ | 14 | 96 | 3 | 1.0535 | 1.201 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cr3O | COD | 1528029 | Pm-3n (223) | ✔ | 8 | 96 | 3 | 0.0 | 0.009 | 0.762 | (1;000) | ✗ | 27/01/17 |
Ni2GeO4 | ICSD | 69508 | Fd-3m (227) | ✔ | 14 | 96 | 3 | 0.0 | 0.000 | 0.756 | (0;000) | ✗ | 27/01/17 |