▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▴ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BNCl2 | ICSD | 27255 | R3 (146) | ✗ | 12 | 66 | 1 | 2.3231 | 2.367 | 0.000 | (0;000) | ✗ | 06/10/16 |
BNCl2 | ICSD | 28168 | R3 (146) | ✗ | 12 | 66 | 1 | 2.288 | 2.326 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaNaBi | ICSD | 413810 | P-62m (189) | ✗ | 9 | 72 | 1 | 0.0066 | 0.007 | 0.000 | (1;000) | ✔ | 06/10/16 |
BiTe | ICSD | 100654 | P-3m1 (164) | ✔ | 12 | 126 | 2 | 0.0457 | 0.097 | 0.000 | (0;001) | ✗ | 06/10/16 |
HgO | ICSD | 24062 | P3_121 (152) | ✗ | 6 | 54 | 3 | 1.2097 | 1.356 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaTiO3 | ICSD | 73629 | R3m (160) | ✗ | 5 | 40 | 3 | 2.3638 | 2.665 | 0.000 | (0;000) | ✗ | 06/10/16 |
HgO | ICSD | 639125 | P3_221 (154) | ✗ | 6 | 54 | 3 | 1.4576 | 1.628 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaFeF4 | ICSD | 65252 | Ccm2_1 (36) | ✗ | 12 | 92 | 2 | 0.0333 | 0.270 | 0.000 | (0;000) | ✔ | 06/10/16 |
BaFeF4 | ICSD | 82765 | Ccm2_1 (36) | ✗ | 12 | 92 | 2 | 0.0565 | 0.274 | 0.000 | (0;000) | ✔ | 06/10/16 |
BaMgF4 | ICSD | 182596 | Ccm2_1 (36) | ✗ | 12 | 96 | 2 | 6.6299 | 6.798 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaMgF4 | ICSD | 182597 | Ccm2_1 (36) | ✗ | 12 | 96 | 2 | 7.4872 | 7.496 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaMgF4 | ICSD | 182598 | Ccm2_1 (36) | ✗ | 12 | 96 | 2 | 7.6297 | 7.630 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaMgF4 | ICSD | 50227 | Ccm2_1 (36) | ✗ | 12 | 96 | 2 | 7.1288 | 7.150 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaTiO3 | ICSD | 186462 | R3m (160) | ✗ | 5 | 40 | 3 | 2.5037 | 2.909 | 0.000 | (0;000) | ✗ | 06/10/16 |
Al2O3 | ICSD | 169722 | C2/c (15) | ✔ | 10 | 48 | 3 | 9.3608 | 9.361 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sn(HgSe2)2 | ICSD | 95061 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.2537 | 0.254 | 0.000 | (0;000) | ✔ | 06/10/16 |
Cd(GaS2)2 | ICSD | 619878 | I-4 (82) | ✗ | 7 | 62 | 3 | 2.2573 | 2.260 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaTiO3 | ICSD | 73634 | R3m (160) | ✗ | 5 | 40 | 3 | 2.3562 | 2.657 | 0.000 | (0;000) | ✗ | 06/10/16 |
HgS | ICSD | 169614 | P3_221 (154) | ✗ | 6 | 54 | 3 | 1.5136 | 1.570 | 0.000 | (0;000) | ✗ | 06/10/16 |
Zn(CN)2 | ICSD | 66937 | P-43m (215) | ✗ | 10 | 60 | 3 | 6.0028 | 6.146 | 0.000 | (0;000) | ✗ | 06/10/16 |
Bi2O3 | ICSD | 15072 | P2_1/c (14) | ✔ | 20 | 112 | 3 | 2.2283 | 2.259 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaTiO3 | ICSD | 73630 | R3m (160) | ✗ | 5 | 40 | 3 | 2.4221 | 2.737 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaZnF4 | ICSD | 16925 | Ccm2_1 (36) | ✗ | 12 | 100 | 2 | 4.6253 | 4.625 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaZnF4 | ICSD | 182604 | Ccm2_1 (36) | ✗ | 12 | 100 | 2 | 4.6595 | 4.660 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaZnF4 | ICSD | 182605 | Ccm2_1 (36) | ✗ | 12 | 100 | 2 | 4.7095 | 4.712 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaZnF4 | ICSD | 182606 | Ccm2_1 (36) | ✗ | 12 | 100 | 2 | 4.704 | 4.735 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaZnF4 | ICSD | 182607 | Ccm2_1 (36) | ✗ | 12 | 100 | 2 | 4.5127 | 4.584 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaZnF4 | ICSD | 182609 | Ccm2_1 (36) | ✗ | 12 | 100 | 2 | 4.6699 | 4.690 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaZnF4 | ICSD | 402925 | Ccm2_1 (36) | ✗ | 12 | 100 | 2 | 4.6827 | 4.712 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaZnF4 | ICSD | 402926 | Ccm2_1 (36) | ✗ | 12 | 100 | 2 | 4.7142 | 4.744 | 0.000 | (0;000) | ✗ | 06/10/16 |
Bi2O3 | ICSD | 186365 | P-3m1 (164) | ✔ | 5 | 48 | 3 | 0.4261 | 1.051 | 0.000 | (0;000) | ✗ | 05/01/17 |
HgSe | ICSD | 639202 | P3_221 (154) | ✗ | 6 | 54 | 3 | 0.6513 | 0.710 | 0.000 | (0;000) | ✗ | 06/10/16 |
Bi2O3 | ICSD | 261777 | Pccn (56) | ✔ | 20 | 112 | 3 | 2.3002 | 2.300 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaLiP | ICSD | 56444 | P-6m2 (187) | ✗ | 3 | 18 | 1 | 0.6342 | 0.634 | 0.000 | (0;000) | ✗ | 06/10/16 |
BiO2 | ICSD | 79500 | C2/c (15) | ✔ | 12 | 68 | 3 | 1.4798 | 1.526 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li2GeO3 | ICSD | 100403 | Ccm2_1 (36) | ✗ | 12 | 56 | 1 | 4.0511 | 4.230 | 0.000 | (0;000) | ✗ | 06/10/16 |
CuBr | ICSD | 23989 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.3072 | 0.310 | 0.000 | (0;000) | ✔ | 06/10/16 |
VCu3S4 | ICSD | 402891 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.0094 | 1.363 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaNaP | ICSD | 402227 | P-62m (189) | ✗ | 9 | 72 | 1 | 0.8483 | 0.848 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaNiO3 | ICSD | 15761 | Ccm2_1 (36) | ✗ | 10 | 76 | 1 | 1.009 | 1.179 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaZnO2 | ICSD | 25559 | P3_121 (152) | ✗ | 12 | 102 | 3 | 2.3832 | 2.392 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaZnO2 | ICSD | 25812 | P3_121 (152) | ✗ | 12 | 102 | 3 | 2.4305 | 2.431 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaTiO3 | ICSD | 100463 | R3m (160) | ✗ | 5 | 40 | 3 | 2.2876 | 2.569 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaTiO3 | ICSD | 100464 | R3m (160) | ✗ | 5 | 40 | 3 | 2.2876 | 2.569 | 0.000 | (0;000) | ✗ | 06/10/16 |
ReNCl4 | ICSD | 10126 | P1 (1) | ✗ | 6 | 48 | 1 | 1.098 | 1.204 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaTiO3 | ICSD | 73635 | R3m (160) | ✗ | 5 | 40 | 3 | 2.3746 | 2.677 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiI | ICSD | 414242 | P6_3mc (186) | ✗ | 4 | 20 | 1 | 4.1367 | 4.137 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaTiO3 | ICSD | 186460 | C2mm (38) | ✗ | 5 | 40 | 3 | 1.9349 | 2.048 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaTiO3 | ICSD | 186461 | R3m (160) | ✗ | 5 | 40 | 3 | 2.0696 | 2.225 | 0.000 | (0;000) | ✗ | 06/10/16 |
MgAl2O4 | COD | 9005811 | Fd-3m (227) | ✔ | 14 | 80 | 3 | 5.6027 | 5.604 | 0.000 | (0;000) | ✗ | 05/01/17 |