▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
YTiO3 | COD | 2101924 | Pnma (62) | ✔ | 20 | 164 | 3 | 0.0 | 0.001 | 0.698 | (0;110) | ✗ | 02/02/17 |
Sc3As2 | COD | 1528350 | Pnma (62) | ✔ | 20 | 172 | 3 | 0.0 | 0.000 | 0.912 | (1;011) | ✗ | 21/03/17 |
As2O3 | COD | 4513294 | P2_1 (4) | ✗ | 20 | 112 | 3 | 2.5456 | 2.777 | 0.000 | (0;000) | ✗ | 21/03/17 |
Sc3As2 | ICSD | 611359 | Pnma (62) | ✔ | 20 | 172 | 3 | 0.0 | 0.000 | 0.773 | (0;011) | ✗ | 21/03/17 |
Sc3As2 | ICSD | 611355 | P4/m (83) | ✔ | 20 | 172 | 3 | 0.0 | 0.000 | 0.774 | (0;111) | ✗ | 21/03/17 |
Ti2Sn3 | COD | 4000005 | Cmce (64) | ✔ | 20 | 264 | 3 | 0.0 | 0.010 | 0.504 | (1;110) | ✗ | 29/03/17 |
Sc2S3 | ICSD | 650835 | Pna2_1 (33) | ✗ | 20 | 160 | 3 | 1.381 | 1.543 | 0.000 | (0;000) | ✗ | 29/03/17 |
PHSF2 | ICSD | 63001 | P2_1/c (14) | ✔ | 20 | 104 | 1 | 4.5103 | 4.510 | 0.000 | (0;000) | ✗ | 02/02/17 |
KB(CN)4 | ICSD | 411180 | I4_1/a (88) | ✔ | 20 | 96 | 1 | 6.4334 | 6.461 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li2Ta3N5 | ICSD | 40568 | C2/m (12) | ✔ | 20 | 140 | 3 | 0.0 | 0.029 | 0.624 | (0;000) | ✗ | 29/03/17 |
Sn7Ru3 | COD | 2200583 | Im-3m (229) | ✔ | 20 | 292 | 3 | 0.0 | 0.000 | 0.394 | (1;111) | ✗ | 02/02/17 |
Sc2S3 | ICSD | 650834 | Fddd (70) | ✔ | 20 | 160 | 2 | 0.0 | 0.005 | 0.588 | (1;111) | ✗ | 29/03/17 |
NaFeF3 | ICSD | 68981 | Pnma (62) | ✔ | 20 | 152 | 3 | 0.2762 | 0.277 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2BeO2 | ICSD | 23633 | P2_1/c (14) | ✔ | 20 | 136 | 3 | 3.1261 | 3.253 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs6InAs3 | ICSD | 300145 | P2_1/m (11) | ✔ | 20 | 164 | 3 | 0.8866 | 0.887 | 0.000 | (0;000) | ✗ | 21/03/17 |
KNaMg2Si4(O5F)2 | ICSD | 98196 | C2/m (12) | ✔ | 20 | 128 | 2 | 5.3922 | 5.392 | 0.000 | (0;000) | ✗ | 02/02/17 |
KNOF2 | ICSD | 240891 | Pnma (62) | ✔ | 20 | 136 | 1 | 0.0 | 0.008 | 0.070 | (1;000) | ✗ | 02/02/17 |
Rh2Se3 | ICSD | 650282 | Pbcn (60) | ✔ | 20 | 208 | 3 | 0.0 | 0.007 | 0.042 | (0;000) | ✗ | 02/02/17 |
Bi2O3 | ICSD | 15072 | P2_1/c (14) | ✔ | 20 | 112 | 3 | 2.2283 | 2.259 | 0.000 | (0;000) | ✗ | 06/10/16 |
Pb2OF2 | COD | 1523196 | P4_2/nmc (137) | ✔ | 20 | 192 | 3 | 2.9342 | 3.131 | 0.000 | (0;000) | ✗ | 02/02/17 |
Y2Si5Rh3 | ICSD | 40760 | C2/c (15) | ✔ | 20 | 186 | 3 | 0.0 | 0.000 | 0.534 | (0;011) | ✗ | 02/02/17 |
Al2O3 | ICSD | 169723 | Pbcn (60) | ✔ | 20 | 96 | 3 | 8.5906 | 8.591 | 0.000 | (0;000) | ✗ | 05/01/17 |
NaMgF3 | COD | 9003811 | Pnma (62) | ✔ | 20 | 160 | 3 | 6.4343 | 6.434 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrF4 | COD | 2019609 | P2_1/c (14) | ✔ | 20 | 128 | 3 | 5.2782 | 5.321 | 0.000 | (0;000) | ✗ | 02/02/17 |
YScS3 | ICSD | 23422 | Pna2_1 (33) | ✗ | 20 | 160 | 3 | 1.7558 | 1.858 | 0.000 | (0;000) | ✗ | 29/03/17 |
Cd2BiAsO6 | ICSD | 154151 | Cmc2_1 (36) | ✗ | 20 | 160 | 3 | 2.4619 | 2.493 | 0.000 | (0;000) | ✗ | 21/03/17 |
Bi2O3 | ICSD | 168811 | Fd-3m (227) | ✔ | 20 | 112 | 1 | 2.1934 | 2.260 | 0.000 | (0;000) | ✗ | 06/10/16 |
KMnF3 | ICSD | 89343 | P2_1/m (11) | ✔ | 20 | 180 | 3 | 0.0 | 0.006 | 0.776 | (0;011) | ✗ | 02/02/17 |
MgAs4 | COD | 2106317 | P4_12_12 (92) | ✗ | 20 | 120 | 3 | 0.836 | 0.848 | 0.000 | (0;000) | ✗ | 21/03/17 |
KMnF3 | ICSD | 31821 | Pnma (62) | ✔ | 20 | 180 | 3 | 0.0 | 0.002 | 0.510 | (0;110) | ✗ | 02/02/17 |
Ta3VS6 | ICSD | 651111 | P6_322 (182) | ✗ | 20 | 176 | 3 | 0.0 | 0.000 | 0.509 | ? | ✗ | 29/03/17 |
Ca2BiAsO6 | ICSD | 91475 | Cmc2_1 (36) | ✗ | 20 | 152 | 1 | 3.0653 | 3.083 | 0.000 | (0;000) | ✗ | 21/03/17 |
Bi2O3 | ICSD | 168815 | Pnab (60) | ✔ | 20 | 112 | 3 | 1.6331 | 1.633 | 0.000 | (0;000) | ✗ | 06/10/16 |
NaZnF3 | ICSD | 69349 | Pnma (62) | ✔ | 20 | 168 | 3 | 3.8293 | 3.829 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaNiF3 | COD | 1521771 | Pnma (62) | ✔ | 20 | 160 | 3 | 0.0 | 0.002 | 0.181 | (0;000) | ✗ | 02/02/17 |
NaMnF3 | COD | 1527946 | Pnma (62) | ✔ | 20 | 180 | 3 | 0.0 | 0.001 | 0.366 | (0;110) | ✗ | 02/02/17 |
Sc2S3 | ICSD | 22236 | Fddd (70) | ✔ | 20 | 160 | 3 | 0.912 | 0.927 | 0.000 | (0;000) | ✗ | 29/03/17 |
Bi2O3 | ICSD | 172529 | Pbnb (56) | ✔ | 20 | 112 | 3 | 2.2888 | 2.289 | 0.000 | (0;000) | ✗ | 06/10/16 |
VOF3 | COD | 4339753 | P2_1/c (14) | ✔ | 20 | 160 | 2 | 3.4086 | 3.433 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbPbF3 | ICSD | 161148 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.0 | 0.011 | 0.578 | (0;000) | ✗ | 02/02/17 |
H2C2O | COD | 7054714 | P-1 (2) | ✔ | 20 | 64 | 1 | 3.9925 | 4.100 | 0.000 | (0;000) | ✗ | 02/02/17 |
Bi2O3 | ICSD | 261777 | Pccn (56) | ✔ | 20 | 112 | 3 | 2.3002 | 2.300 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr7Au3 | COD | 1510514 | P6_3mc (186) | ✗ | 20 | 206 | 1 | 0.0 | 0.000 | 0.862 | ? | ✗ | 21/03/17 |
Sn2S3 | COD | 2310450 | Pnma (62) | ✔ | 20 | 184 | 2 | 0.6328 | 0.730 | 0.000 | (0;000) | ✗ | 02/02/17 |
KH4F5 | COD | 1532621 | I4_1/a (88) | ✔ | 20 | 96 | 1 | 5.6134 | 5.613 | 0.000 | (0;000) | ✗ | 02/02/17 |
H2C2I | COD | 4508289 | P-1 (2) | ✔ | 20 | 68 | 1 | 2.6863 | 2.762 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sc2Te3 | COD | 9008008 | Fddd (70) | ✔ | 20 | 160 | 3 | 0.0 | 0.006 | 0.217 | (1;111) | ✗ | 29/03/17 |
Ca3AsN | COD | 1005008 | Pnma (62) | ✔ | 20 | 160 | 1 | 0.8756 | 0.876 | 0.000 | (0;000) | ✗ | 21/03/17 |
Sc2Se3 | ICSD | 651804 | Fddd (70) | ✔ | 20 | 160 | 3 | 0.4329 | 0.473 | 0.000 | (0;000) | ✗ | 29/03/17 |
BaH2C2O5 | ICSD | 151115 | C2/m (12) | ✔ | 20 | 100 | 1 | 3.1951 | 3.297 | 0.000 | (0;000) | ✗ | 02/02/17 |