▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BeP2 | ICSD | 2262 | C2/c (15) | ✔ | 24 | 112 | 1 | 0.8233 | 0.895 | 0.000 | (0;000) | ✗ | 04/08/17 |
SrBeF4 | ICSD | 404396 | P2_1/c (14) | ✔ | 24 | 168 | 1 | 7.6882 | 7.690 | 0.000 | (0;000) | ✗ | 04/08/17 |
BNF4 | COD | 9015016 | Pnma (62) | ✔ | 24 | 144 | 1 | 0.0 | 0.005 | 0.482 | (0;000) | ✗ | 04/08/17 |
KBF4 | COD | 9012411 | Pnma (62) | ✔ | 24 | 160 | 1 | 8.1512 | 8.151 | 0.000 | (0;000) | ✗ | 04/08/17 |
TlBF4 | COD | 8103456 | Pnma (62) | ✔ | 24 | 176 | 1 | 5.4599 | 5.598 | 0.000 | (0;000) | ✗ | 04/08/17 |
RbBF4 | COD | 9012413 | Pnma (62) | ✔ | 24 | 160 | 1 | 7.797 | 7.797 | 0.000 | (0;000) | ✗ | 04/08/17 |
Bi4Pb7Se13 | COD | 4340717 | C2/m (12) | ✔ | 24 | 236 | 3 | 0.0 | 0.056 | 0.089 | (1;111) | ✗ | 04/08/17 |
PBr5 | COD | 1528267 | Pbcm (57) | ✔ | 24 | 160 | 1 | 2.1153 | 2.243 | 0.000 | (0;000) | ✗ | 04/08/17 |
Mn2Bi3O7 | ICSD | 184382 | Cmc2_1 (36) | ✗ | 24 | 234 | 3 | 0.0 | 0.000 | 0.742 | ? | ✗ | 04/08/17 |
NaBH4 | ICSD | 166446 | Pnma (62) | ✔ | 24 | 64 | 1 | 6.1844 | 6.186 | 0.000 | (0;000) | ✗ | 04/08/17 |
InBF4 | COD | 1511123 | Pnma (62) | ✔ | 24 | 176 | 1 | 4.5108 | 4.575 | 0.000 | (0;000) | ✗ | 04/08/17 |
VBiO4 | COD | 9014682 | Pbcn (60) | ✔ | 24 | 208 | 3 | 2.3177 | 2.414 | 0.000 | (0;000) | ✗ | 04/08/17 |
BiIO4 | COD | 4106584 | Pca2_1 (29) | ✗ | 24 | 184 | 2 | 2.2729 | 2.462 | 0.000 | (0;000) | ✗ | 04/08/17 |
NbBiO4 | COD | 1532718 | Pnna (52) | ✔ | 24 | 208 | 3 | 2.8013 | 2.921 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaBS2 | COD | 1510938 | R-3c (167) | ✔ | 24 | 144 | 1 | 2.4962 | 2.496 | 0.000 | (0;000) | ✗ | 04/08/17 |
Li3BN2 | ICSD | 41022 | P2_1/c (14) | ✔ | 24 | 88 | 1 | 3.4359 | 3.802 | 0.000 | (0;000) | ✗ | 04/08/17 |
SbBr5F6 | ICSD | 69056 | C2/c (15) | ✔ | 24 | 164 | 3 | 1.5153 | 1.546 | 0.000 | (0;000) | ✗ | 04/08/17 |
KBS2 | COD | 1510923 | R-3c (167) | ✔ | 24 | 144 | 1 | 2.6619 | 2.662 | 0.000 | (0;000) | ✗ | 04/08/17 |
Li2BPt3 | COD | 1511225 | P4_332 (212) | ✗ | 24 | 156 | 3 | 0.0 | 0.000 | 0.530 | ? | ✗ | 04/08/17 |
NaBO2 | COD | 9015516 | R-3c (167) | ✔ | 24 | 144 | 1 | 3.7128 | 3.713 | 0.000 | (0;000) | ✗ | 04/08/17 |
WSBr4 | COD | 1527306 | P2_1/c (14) | ✔ | 24 | 248 | 1 | 1.1089 | 1.179 | 0.000 | (0;000) | ✗ | 04/08/17 |
K2CuBr3 | ICSD | 150293 | Pnma (62) | ✔ | 24 | 200 | 1 | 1.9025 | 1.903 | 0.000 | (0;000) | ✗ | 04/08/17 |
TlBr2 | COD | 1527495 | Pnna (52) | ✔ | 24 | 216 | 1 | 2.2705 | 2.271 | 0.000 | (0;000) | ✗ | 04/08/17 |
GeBr2 | COD | 8103585 | P2_1/c (14) | ✔ | 24 | 144 | 2 | 2.608 | 2.634 | 0.000 | (0;000) | ✗ | 04/08/17 |
InBr2 | ICSD | 62240 | Pnna (52) | ✔ | 24 | 216 | 1 | 2.4035 | 2.404 | 0.000 | (0;000) | ✗ | 04/08/17 |
Rb2CuBr3 | ICSD | 150295 | Pnma (62) | ✔ | 24 | 200 | 1 | 1.8467 | 1.847 | 0.000 | (0;000) | ✗ | 04/08/17 |
KTlBr4 | ICSD | 35418 | Pnna (52) | ✔ | 24 | 200 | 1 | 1.9455 | 1.946 | 0.000 | (0;000) | ✗ | 04/08/17 |
Hg2TeBr3 | ICSD | 417407 | P2_1/c (14) | ✔ | 24 | 204 | 3 | 1.8832 | 1.912 | 0.000 | (0;000) | ✗ | 04/08/17 |
KInBr4 | COD | 1004072 | Pnna (52) | ✔ | 24 | 200 | 1 | 2.8711 | 2.871 | 0.000 | (0;000) | ✗ | 04/08/17 |
TlFeBr4 | ICSD | 402064 | Pnna (52) | ✔ | 24 | 196 | 1 | 0.0 | 0.001 | 0.518 | (1;000) | ✗ | 04/08/17 |
CsTlBr4 | ICSD | 61180 | P2_12_12_1 (19) | ✗ | 24 | 200 | 1 | 2.1423 | 2.146 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaGaBr4 | ICSD | 69650 | Pnma (62) | ✔ | 24 | 200 | 1 | 3.6083 | 3.608 | 0.000 | (0;000) | ✗ | 04/08/17 |
LiGaBr4 | ICSD | 61337 | P2_1/c (14) | ✔ | 24 | 176 | 1 | 3.4986 | 3.499 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaC2N3 | COD | 4300181 | Pnma (62) | ✔ | 24 | 128 | 1 | 4.1109 | 4.141 | 0.000 | (0;000) | ✗ | 04/08/17 |
SnCl2 | ICSD | 81979 | P2_1/c (14) | ✔ | 24 | 224 | 3 | 0.7863 | 1.125 | 0.000 | (0;000) | ✗ | 04/08/17 |
TlBS2 | COD | 4027829 | R-3m (166) | ✔ | 24 | 168 | 2 | 0.0 | 0.038 | 1.000 | (1;011) | ✗ | 04/08/17 |
KBrO4 | COD | 4343799 | Pnma (62) | ✔ | 24 | 160 | 1 | 3.8377 | 3.880 | 0.000 | (0;000) | ✗ | 04/08/17 |
TlBrO4 | ICSD | 65659 | Pnma (62) | ✔ | 24 | 176 | 1 | 3.7139 | 3.827 | 0.000 | (0;000) | ✗ | 04/08/17 |
LiC2N3 | ICSD | 425113 | P2/c (13) | ✔ | 24 | 104 | 1 | 4.6615 | 4.874 | 0.000 | (0;000) | ✗ | 04/08/17 |
H3C2N | COD | 5000306 | P-1 (2) | ✔ | 24 | 64 | 1 | 3.0551 | 3.102 | 0.000 | (0;000) | ✗ | 04/08/17 |
H3C2N | COD | 2103498 | P2_1/c (14) | ✔ | 24 | 64 | 1 | 7.2294 | 7.259 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsC2N3 | ICSD | 249791 | C2/c (15) | ✔ | 24 | 128 | 1 | 4.6862 | 4.686 | 0.000 | (0;000) | ✗ | 04/08/17 |
H3C2O | COD | 2216740 | P-1 (2) | ✔ | 24 | 68 | 2 | 3.2998 | 3.326 | 0.000 | (0;000) | ✗ | 04/08/17 |
KC2N3 | ICSD | 411932 | Pnma (62) | ✔ | 24 | 128 | 1 | 3.8498 | 3.850 | 0.000 | (0;000) | ✗ | 04/08/17 |
KC2N3 | ICSD | 411931 | P2_1/c (14) | ✔ | 24 | 128 | 1 | 4.3977 | 4.398 | 0.000 | (0;000) | ✗ | 04/08/17 |
HC2F | COD | 4116822 | C2/c (15) | ✔ | 24 | 96 | 1 | 4.5863 | 4.606 | 0.000 | (0;000) | ✗ | 04/08/17 |
HC2F | COD | 2223886 | C2/c (15) | ✔ | 24 | 96 | 1 | 4.7694 | 4.810 | 0.000 | (0;000) | ✗ | 04/08/17 |
KC2N3 | ICSD | 411930 | Pbcm (57) | ✔ | 24 | 128 | 1 | 4.8139 | 4.859 | 0.000 | (0;000) | ✗ | 04/08/17 |
C3Cl2O | COD | 7202469 | P2_1/c (14) | ✔ | 24 | 128 | 1 | 1.4252 | 1.472 | 0.000 | (0;000) | ✗ | 04/08/17 |
C3Br2O | COD | 7206336 | P2_1/c (14) | ✔ | 24 | 128 | 1 | 1.2333 | 1.269 | 0.000 | (0;000) | ✗ | 04/08/17 |