▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BaAl2 | ICSD | 246193 | Fd-3m (227) | ✔ | 6 | 32 | 3 | 0.0 | 0.000 | 0.593 | (0;000) | ✗ | 05/01/17 |
KScO2 | ICSD | 34958 | R-3m (166) | ✔ | 4 | 32 | 2 | 3.7269 | 4.188 | 0.000 | (0;000) | ✗ | 27/01/17 |
BC2N | ICSD | 191801 | Cm (8) | ✗ | 8 | 32 | 3 | 0.2449 | 0.355 | 0.000 | (0;000) | ✔ | 06/10/16 |
BC2N | ICSD | 191802 | P1 (1) | ✗ | 8 | 32 | 3 | 0.1899 | 0.191 | 0.000 | (0;000) | ✔ | 06/10/16 |
BC2N | ICSD | 191803 | C2/m (12) | ✔ | 8 | 32 | 3 | 0.0 | 0.005 | 0.202 | (0;111) | ✗ | 06/10/16 |
BaO | COD | 1527735 | P4/nmm (129) | ✔ | 4 | 32 | 3 | 1.9651 | 1.965 | 0.000 | (0;000) | ✗ | 05/01/17 |
VB | COD | 2310100 | Cmcm (63) | ✔ | 4 | 32 | 3 | 0.0 | 0.019 | 0.325 | (1;000) | ✗ | 27/01/17 |
BaO | ICSD | 173921 | P6_3/mmc (194) | ✔ | 4 | 32 | 1 | 2.2677 | 2.285 | 0.000 | (0;000) | ✗ | 05/01/17 |
BC2N | ICSD | 191800 | Cm (8) | ✗ | 8 | 32 | 3 | 1.1686 | 1.169 | 0.000 | (0;000) | ✗ | 06/10/16 |
SiS2 | ICSD | 16952 | I-42d (122) | ✗ | 6 | 32 | 3 | 2.9532 | 3.090 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaSiO3 | ICSD | 240411 | Pm-3m (221) | ✔ | 5 | 32 | 3 | 5.0875 | 6.198 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaAlH4 | ICSD | 8022 | I4_1/a (88) | ✔ | 12 | 32 | 1 | 0.5856 | 1.005 | 0.000 | (0;000) | ✗ | 05/01/17 |
BC2N | ICSD | 93040 | P2_122 (17) | ✗ | 8 | 32 | 3 | 1.9946 | 1.995 | 0.000 | (0;000) | ✗ | 06/10/16 |
K3Sb | ICSD | 44677 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.6121 | 0.612 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrSi3Ni | ICSD | 174268 | I4mm (107) | ✗ | 5 | 32 | 3 | 0.0 | 0.039 | 0.440 | (0;111) | ✔ | 07/10/16 |
AlPO4 | ICSD | 159273 | P2/m (10) | ✔ | 6 | 32 | 3 | 4.6119 | 4.623 | 0.000 | (0;000) | ✗ | 05/01/17 |
ZrGe | ICSD | 638161 | Pnma (62) | ✔ | 8 | 32 | 3 | 0.0 | 0.019 | 0.088 | (1;000) | ✗ | 27/01/17 |
KH2N | ICSD | 25619 | P2_1/m (11) | ✔ | 8 | 32 | 1 | 1.985 | 1.985 | 0.000 | (0;000) | ✗ | 27/01/17 |
BC2N | ICSD | 191798 | P22_12 (17) | ✗ | 8 | 32 | 3 | 2.4617 | 2.462 | 0.000 | (0;000) | ✗ | 06/10/16 |
BN | ICSD | 162883 | P2_1/c (14) | ✔ | 8 | 32 | 2 | 3.1457 | 3.540 | 0.000 | (0;000) | ✗ | 06/10/16 |
C | COD | 9012241 | Im-3m (229) | ✔ | 8 | 32 | 3 | 2.5767 | 3.974 | 0.000 | (0;000) | ✗ | 27/01/17 |
BN | ICSD | 162880 | Cc (9) | ✗ | 8 | 32 | 3 | 3.3515 | 4.168 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaZrO3 | COD | 1532743 | Pm-3m (221) | ✔ | 5 | 32 | 3 | 2.7993 | 2.799 | 0.000 | (0;000) | ✗ | 05/01/17 |
KNa2Sb | ICSD | 44332 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.5785 | 0.579 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrGeO3 | COD | 2240649 | Pm-3m (221) | ✔ | 5 | 32 | 3 | 0.122 | 0.765 | 0.000 | (0;000) | ✗ | 27/01/17 |
TePt | ICSD | 41383 | C2/m (12) | ✔ | 4 | 32 | 2 | 0.0 | 0.077 | 0.748 | (1;111) | ✔ | 06/10/16 |
Os | COD | 9008510 | P6_3/mmc (194) | ✔ | 2 | 32 | 3 | 0.0 | 0.016 | 0.519 | (0;000) | ✗ | 27/01/17 |
BN | ICSD | 162877 | Cm (8) | ✗ | 8 | 32 | 3 | 1.5525 | 1.567 | 0.000 | (0;000) | ✗ | 06/10/16 |
GeO2 | COD | 9006853 | P4_2/mnm (136) | ✔ | 6 | 32 | 3 | 2.1978 | 2.198 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ge | ICSD | 173890 | Ia3 (206) | ✔ | 8 | 32 | 3 | 0.0 | 0.000 | 0.231 | (1;111) | ✗ | 27/01/17 |
Ge | COD | 9013109 | Cmce (64) | ✔ | 8 | 32 | 3 | 0.0 | 0.011 | 0.466 | (1;000) | ✗ | 27/01/17 |
HfGe | COD | 9016210 | I4_1/amd (141) | ✔ | 4 | 32 | 3 | 0.0 | 0.002 | 0.343 | (1;111) | ✗ | 27/01/17 |
AlVFe2 | ICSD | 57833 | Fm-3m (225) | ✔ | 4 | 32 | 3 | 0.0 | 0.129 | 0.096 | (0;000) | ✗ | 05/01/17 |
Ge | ICSD | 167204 | P6_3/mmc (194) | ✔ | 8 | 32 | 3 | 0.0 | 0.003 | 0.030 | (0;000) | ✗ | 27/01/17 |
PtO | ICSD | 164290 | P4_2/mmc (131) | ✔ | 4 | 32 | 3 | 0.0 | 0.001 | 0.128 | (0;000) | ✗ | 27/01/17 |
YN | ICSD | 161079 | P6_3/mmc (194) | ✔ | 4 | 32 | 3 | 0.6511 | 0.930 | 0.000 | (0;000) | ✗ | 06/10/16 |
MnIr | ICSD | 104496 | P4/mmm (123) | ✔ | 2 | 32 | 3 | 0.0 | 0.005 | 0.600 | (0;001) | ✗ | 27/01/17 |
LiGa | COD | 1523146 | Fd-3m (227) | ✔ | 4 | 32 | 3 | 0.0 | 0.013 | 0.218 | (0;000) | ✗ | 27/01/17 |
SrZrO3 | COD | 1010901 | Pm-3m (221) | ✔ | 5 | 32 | 3 | 0.0 | 0.007 | 0.627 | (0;000) | ✗ | 27/01/17 |
ZrO2 | COD | 1526427 | P4_2/nmc (137) | ✔ | 6 | 32 | 3 | 3.4892 | 3.667 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrSiO3 | ICSD | 248973 | Pm-3m (221) | ✔ | 5 | 32 | 3 | 4.9596 | 5.574 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrZrO3 | COD | 1521389 | Pm-3m (221) | ✔ | 5 | 32 | 3 | 2.9809 | 2.981 | 0.000 | (0;000) | ✗ | 27/01/17 |
WO3 | ICSD | 183408 | Pm-3m (221) | ✔ | 4 | 32 | 3 | 0.4293 | 1.461 | 0.000 | (0;000) | ✗ | 27/01/17 |
WO3 | ICSD | 67749 | Pm-3m (221) | ✔ | 4 | 32 | 3 | 0.5514 | 1.584 | 0.000 | (0;000) | ✗ | 27/01/17 |
K3Sb | ICSD | 641351 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.6121 | 0.612 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZrSO | ICSD | 36111 | P4/nmm (129) | ✔ | 6 | 32 | 3 | 0.8081 | 0.808 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrSi | COD | 1528852 | Pnma (62) | ✔ | 8 | 32 | 3 | 0.0 | 0.018 | 0.214 | (1;000) | ✗ | 27/01/17 |
SiO2 | ICSD | 25632 | Ibam (72) | ✔ | 6 | 32 | 1 | 2.7504 | 3.123 | 0.000 | (0;000) | ✗ | 27/01/17 |
C3N4 | ICSD | 83264 | P-43m (215) | ✗ | 7 | 32 | 3 | 2.5786 | 2.579 | 0.000 | (0;000) | ✗ | 06/10/16 |
SiO2 | COD | 9007154 | P4_2/mnm (136) | ✔ | 6 | 32 | 3 | 6.8678 | 6.868 | 0.000 | (0;000) | ✗ | 27/01/17 |