▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NaCl | COD | 2104025 | Pm-3m (221) | ✔ | 2 | 16 | 3 | 4.381 | 4.381 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaSe | COD | 9008601 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 1.7784 | 1.971 | 0.000 | (0;000) | ✗ | 05/01/17 |
MgTe | ICSD | 159402 | F-43m (216) | ✗ | 2 | 16 | 3 | 2.0409 | 2.041 | 0.000 | (0;000) | ✗ | 06/10/16 |
BN | ICSD | 41486 | P6_3mc (186) | ✗ | 4 | 16 | 3 | 5.2311 | 8.408 | 0.000 | (0;000) | ✗ | 06/10/16 |
ScN | ICSD | 236779 | F-43m (216) | ✗ | 2 | 16 | 3 | 2.424 | 2.424 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaS | COD | 9008600 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 2.0979 | 2.188 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaO | COD | 1011362 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 1.8783 | 1.878 | 0.000 | (0;000) | ✗ | 05/01/17 |
ZrO2 | COD | 1525707 | Fm-3m (225) | ✔ | 3 | 16 | 3 | 2.8098 | 3.454 | 0.000 | (0;000) | ✗ | 27/01/17 |
PtO | COD | 1522314 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 0.0 | 0.002 | 0.609 | (0;000) | ✗ | 27/01/17 |
ScP | COD | 2310238 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 0.0 | 0.267 | 0.203 | (0;000) | ✗ | 27/01/17 |
BaLiH3 | ICSD | 23977 | Pm-3m (221) | ✔ | 5 | 16 | 3 | 0.0 | 0.003 | 0.111 | (0;111) | ✗ | 05/01/17 |
BaLiH3 | ICSD | 416463 | Pm-3m (221) | ✔ | 5 | 16 | 1 | 2.2583 | 2.610 | 0.000 | (0;000) | ✗ | 05/01/17 |
MgS | COD | 9008672 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 2.7586 | 3.688 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgSe | COD | 9008673 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 1.6665 | 2.469 | 0.000 | (0;000) | ✗ | 27/01/17 |
NiO | COD | 4320490 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 0.0 | 0.000 | 0.631 | (0;000) | ✗ | 27/01/17 |
LiTl | COD | 1523144 | Pm-3m (221) | ✔ | 2 | 16 | 3 | 0.0 | 0.724 | 0.531 | (0;000) | ✗ | 27/01/17 |
YAs | COD | 9008767 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 0.0 | 0.131 | 0.186 | (0;000) | ✗ | 05/01/17 |
AuN | ICSD | 167882 | F-43m (216) | ✗ | 2 | 16 | 3 | 0.0 | 0.000 | 0.871 | (0;000) | ✔ | 06/10/16 |
CaSe | ICSD | 167834 | F-43m (216) | ✗ | 2 | 16 | 1 | 3.0584 | 3.136 | 0.000 | (0;000) | ✗ | 06/10/16 |
HfC | COD | 9008641 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 0.0 | 0.117 | 0.150 | (1;000) | ✗ | 27/01/17 |
ScAs | COD | 1527138 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 0.0 | 0.014 | 0.208 | (0;000) | ✗ | 05/01/17 |
MgO | COD | 9006763 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 4.0329 | 4.033 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScN | COD | 9008712 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 0.0 | 0.822 | 0.055 | (0;000) | ✗ | 27/01/17 |
CuN | ICSD | 161756 | F-43m (216) | ✗ | 2 | 16 | 3 | 0.0 | 0.009 | 0.871 | (0;000) | ✔ | 06/10/16 |
MgB2 | COD | 1526507 | P6/mmm (191) | ✔ | 3 | 16 | 2 | 0.0 | 0.000 | 0.642 | (0;001) | ✗ | 05/01/17 |
BN | ICSD | 186248 | P6_3/mmc (194) | ✔ | 4 | 16 | 2 | 3.5701 | 3.601 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2Pt | COD | 1523301 | P6/mmm (191) | ✔ | 3 | 16 | 1 | 0.0 | 0.077 | 0.580 | (1;000) | ✗ | 27/01/17 |
AgN | ICSD | 167874 | F-43m (216) | ✗ | 2 | 16 | 3 | 0.0 | 0.010 | 0.885 | (1;111) | ✔ | 06/10/16 |
ZrSi | ICSD | 20284 | Cmcm (63) | ✔ | 4 | 16 | 3 | 0.0 | 0.005 | 0.258 | (1;000) | ✗ | 27/01/17 |
ZrC | ICSD | 183162 | F-43m (216) | ✗ | 2 | 16 | 3 | 0.3943 | 0.467 | 0.000 | (0;000) | ✔ | 06/10/16 |
KBr | COD | 9009734 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 4.2926 | 4.293 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgS | ICSD | 159401 | F-43m (216) | ✗ | 2 | 16 | 3 | 3.3139 | 3.314 | 0.000 | (0;000) | ✗ | 06/10/16 |
YN | COD | 9008768 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 0.1535 | 0.511 | 0.000 | (0;000) | ✗ | 27/01/17 |
AlN | ICSD | 163951 | Ccmm (63) | ✔ | 4 | 16 | 3 | 4.2953 | 5.458 | 0.000 | (0;000) | ✗ | 06/10/16 |
Al2Pt | COD | 9009032 | Fm-3m (225) | ✔ | 3 | 16 | 3 | 0.0 | 0.009 | 0.823 | (0;000) | ✗ | 05/01/17 |
SrLiH3 | ICSD | 23978 | Pm-3m (221) | ✔ | 5 | 16 | 1 | 0.0 | 0.157 | 0.120 | (0;000) | ✗ | 27/01/17 |
LiFeP | ICSD | 187135 | I4mm (107) | ✗ | 3 | 16 | 3 | 0.0 | 1.023 | 0.012 | (0;000) | ✔ | 07/10/16 |
CsF | ICSD | 61563 | Pm-3m (221) | ✔ | 2 | 16 | 3 | 5.6508 | 5.651 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsI | COD | 2106199 | P4/mmm (123) | ✔ | 2 | 16 | 3 | 0.0 | 0.000 | 0.705 | (0;000) | ✗ | 22/12/16 |
YBi | ICSD | 58869 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 0.0 | 0.024 | 0.255 | (1;000) | ✗ | 06/10/16 |
CaO | COD | 9006708 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 3.649 | 4.030 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ge | COD | 7101739 | Fd-3m (227) | ✔ | 4 | 16 | 3 | 0.0 | 0.012 | 0.616 | (0;000) | ✗ | 27/01/17 |
ZrHg | COD | 1522699 | P4/mmm (123) | ✔ | 2 | 16 | 3 | 0.0 | 0.021 | 0.404 | (1;001) | ✗ | 27/01/17 |
MgSe | ICSD | 159398 | F-43m (216) | ✗ | 2 | 16 | 3 | 2.3963 | 2.396 | 0.000 | (0;000) | ✗ | 06/10/16 |
HfC | ICSD | 185992 | F-43m (216) | ✗ | 2 | 16 | 3 | 0.2904 | 0.290 | 0.000 | (0;000) | ✔ | 06/10/16 |
LiFeAs | ICSD | 187132 | I4mm (107) | ✗ | 3 | 16 | 3 | 0.2109 | 0.457 | 0.000 | (0;000) | ✔ | 07/10/16 |
ScP | ICSD | 188693 | F-43m (216) | ✗ | 2 | 16 | 3 | 1.5616 | 1.562 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsF | COD | 9008621 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 5.4775 | 5.478 | 0.000 | (0;000) | ✗ | 27/01/17 |
CdC | ICSD | 183178 | F-43m (216) | ✗ | 2 | 16 | 3 | 0.0 | 0.000 | 0.842 | (0;000) | ✔ | 06/10/16 |
RbF | COD | 9008708 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 5.7132 | 5.782 | 0.000 | (0;000) | ✗ | 27/01/17 |