▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ba2PCl | ICSD | 28134 | R-3m (166) | ✔ | 4 | 32 | 1 | 0.9165 | 0.956 | 0.000 | (0;000) | ✗ | 05/01/17 |
Li2CdPb | COD | 1525238 | Fm-3m (225) | ✔ | 4 | 32 | 3 | 0.0 | 0.000 | 0.584 | (0;000) | ✗ | 27/01/17 |
CaSiO3 | ICSD | 240411 | Pm-3m (221) | ✔ | 5 | 32 | 3 | 5.0875 | 6.198 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr2IN | COD | 1528373 | R-3m (166) | ✔ | 4 | 32 | 2 | 0.0 | 0.003 | 0.437 | (1;000) | ✗ | 30/01/17 |
VB | COD | 2310100 | Cmcm (63) | ✔ | 4 | 32 | 3 | 0.0 | 0.019 | 0.325 | (1;000) | ✗ | 27/01/17 |
NaNbN2 | ICSD | 657407 | R-3m (166) | ✔ | 4 | 32 | 2 | 1.0313 | 1.255 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiH4 | ICSD | 159307 | P2_1/c (14) | ✔ | 20 | 32 | 2 | 2.7828 | 2.791 | 0.000 | (0;000) | ✗ | 27/01/17 |
TePt | COD | 1523756 | P6_3/mmc (194) | ✔ | 4 | 32 | 3 | 0.0 | 0.034 | 0.412 | (0;000) | ✗ | 27/01/17 |
As4C3 | ICSD | 163831 | P-42m (111) | ✗ | 7 | 32 | 3 | 0.0 | 0.031 | 0.179 | (0;000) | ✔ | 04/10/16 |
Sr2IN | COD | 2215222 | R-3m (166) | ✔ | 4 | 32 | 1 | 1.861 | 1.861 | 0.000 | (0;000) | ✗ | 30/01/17 |
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 |
Ge | COD | 9013109 | Cmce (64) | ✔ | 8 | 32 | 3 | 0.0 | 0.011 | 0.466 | (1;000) | ✗ | 27/01/17 |
SrGeO3 | COD | 2240649 | Pm-3m (221) | ✔ | 5 | 32 | 3 | 0.122 | 0.765 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrAl2 | ICSD | 246192 | Fd-3m (227) | ✔ | 6 | 32 | 3 | 0.0 | 0.005 | 0.597 | (0;000) | ✗ | 05/01/17 |
GeO2 | COD | 9006853 | P4_2/mnm (136) | ✔ | 6 | 32 | 3 | 2.1978 | 2.198 | 0.000 | (0;000) | ✗ | 27/01/17 |
CO2 | ICSD | 188893 | Cmce (64) | ✔ | 6 | 32 | 1 | 0.8836 | 1.332 | 0.000 | (0;000) | ✗ | 27/01/17 |
CuAs | ICSD | 610308 | P6_3/mmc (194) | ✔ | 4 | 32 | 3 | 0.0 | 0.002 | 0.473 | (1;000) | ✗ | 05/01/17 |
HfGe | COD | 9016210 | I4_1/amd (141) | ✔ | 4 | 32 | 3 | 0.0 | 0.002 | 0.343 | (1;111) | ✗ | 27/01/17 |
Ge | ICSD | 167204 | P6_3/mmc (194) | ✔ | 8 | 32 | 3 | 0.0 | 0.003 | 0.030 | (0;000) | ✗ | 27/01/17 |
ZrSO | ICSD | 36111 | P4/nmm (129) | ✔ | 6 | 32 | 3 | 0.8081 | 0.808 | 0.000 | (0;000) | ✗ | 27/01/17 |
HfBe5 | ICSD | 616291 | P6/mmm (191) | ✔ | 6 | 32 | 1 | 0.0 | 0.022 | 0.447 | (0;001) | ✗ | 05/01/17 |
BaCO3 | ICSD | 158389 | R3m (160) | ✗ | 5 | 32 | 1 | 3.7206 | 3.786 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaCO3 | ICSD | 158390 | R3m (160) | ✗ | 5 | 32 | 1 | 3.7237 | 3.789 | 0.000 | (0;000) | ✗ | 06/10/16 |
Os | COD | 9008510 | P6_3/mmc (194) | ✔ | 2 | 32 | 3 | 0.0 | 0.016 | 0.519 | (0;000) | ✗ | 27/01/17 |
Ge | ICSD | 173890 | Ia3 (206) | ✔ | 8 | 32 | 3 | 0.0 | 0.000 | 0.231 | (1;111) | ✗ | 27/01/17 |
NaAlH4 | ICSD | 8022 | I4_1/a (88) | ✔ | 12 | 32 | 1 | 0.5856 | 1.005 | 0.000 | (0;000) | ✗ | 05/01/17 |
SrAl2 | ICSD | 58166 | Imma (74) | ✔ | 6 | 32 | 3 | 0.0 | 0.116 | 0.252 | (0;000) | ✗ | 05/01/17 |
Sr2SO | ICSD | 165968 | P4/mmm (123) | ✔ | 4 | 32 | 1 | 2.1939 | 2.194 | 0.000 | (0;000) | ✗ | 06/10/16 |
PtO | ICSD | 164290 | P4_2/mmc (131) | ✔ | 4 | 32 | 3 | 0.0 | 0.001 | 0.128 | (0;000) | ✗ | 27/01/17 |
AlVFe2 | ICSD | 57833 | Fm-3m (225) | ✔ | 4 | 32 | 3 | 0.0 | 0.129 | 0.096 | (0;000) | ✗ | 05/01/17 |
CNCl | COD | 2310595 | Pmmn (59) | ✔ | 6 | 32 | 1 | 5.9059 | 6.068 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsK2Sb | ICSD | 53237 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.9783 | 0.978 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb3Bi | ICSD | 58849 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.0 | 0.000 | 0.038 | (1;000) | ✗ | 06/10/16 |
LiGa | COD | 1523146 | Fd-3m (227) | ✔ | 4 | 32 | 3 | 0.0 | 0.013 | 0.218 | (0;000) | ✗ | 27/01/17 |
Na2TeC2 | COD | 7220793 | I4/mmm (139) | ✔ | 5 | 32 | 1 | 1.5257 | 1.827 | 0.000 | (0;000) | ✗ | 27/01/17 |
BPS4 | ICSD | 24618 | I222 (23) | ✗ | 6 | 32 | 1 | 1.1178 | 1.383 | 0.000 | (0;000) | ✗ | 06/10/16 |
BPO4 | ICSD | 55083 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6318 | 7.848 | 0.000 | (0;000) | ✗ | 06/10/16 |
BPO4 | ICSD | 55082 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.5989 | 7.822 | 0.000 | (0;000) | ✗ | 06/10/16 |
BPO4 | ICSD | 413437 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.731 | 7.958 | 0.000 | (0;000) | ✗ | 06/10/16 |
WO3 | ICSD | 183408 | Pm-3m (221) | ✔ | 4 | 32 | 3 | 0.4293 | 1.461 | 0.000 | (0;000) | ✗ | 27/01/17 |
BPO4 | ICSD | 26890 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.4923 | 7.703 | 0.000 | (0;000) | ✗ | 06/10/16 |
BPO4 | ICSD | 150380 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6841 | 7.769 | 0.000 | (0;000) | ✗ | 06/10/16 |
BPO4 | ICSD | 150379 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6826 | 7.789 | 0.000 | (0;000) | ✗ | 06/10/16 |
WO3 | ICSD | 67749 | Pm-3m (221) | ✔ | 4 | 32 | 3 | 0.5514 | 1.584 | 0.000 | (0;000) | ✗ | 27/01/17 |
BPO4 | ICSD | 150378 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6596 | 7.782 | 0.000 | (0;000) | ✗ | 06/10/16 |
BPO4 | ICSD | 150377 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.7013 | 7.833 | 0.000 | (0;000) | ✗ | 06/10/16 |
BPO4 | ICSD | 150376 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6811 | 7.826 | 0.000 | (0;000) | ✗ | 06/10/16 |
BPO4 | ICSD | 150375 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6708 | 7.835 | 0.000 | (0;000) | ✗ | 06/10/16 |
BPO4 | ICSD | 150374 | I-4 (82) | ✗ | 6 | 32 | 3 | 7.6752 | 7.855 | 0.000 | (0;000) | ✗ | 06/10/16 |