▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Na2H4Pt | ICSD | 638356 | I4/mmm (139) | ✔ | 7 | 32 | 1 | 1.838 | 1.845 | 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 |
C3N4 | ICSD | 246660 | R3m (160) | ✗ | 7 | 32 | 2 | 1.2528 | 1.275 | 0.000 | (0;000) | ✗ | 06/10/16 |
Si3As4 | ICSD | 163832 | P-42m (111) | ✗ | 7 | 32 | 3 | 0.3934 | 0.501 | 0.000 | (0;000) | ✔ | 06/10/16 |
Ge3As4 | ICSD | 163833 | P-42m (111) | ✗ | 7 | 32 | 3 | 0.138 | 0.212 | 0.000 | (0;000) | ✔ | 06/10/16 |
C | COD | 9012590 | P6_3/mmc (194) | ✔ | 8 | 32 | 3 | 4.4445 | 5.193 | 0.000 | (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 |
CuAs | ICSD | 610308 | P6_3/mmc (194) | ✔ | 4 | 32 | 3 | 0.0 | 0.002 | 0.473 | (1;000) | ✗ | 05/01/17 |
NiS | ICSD | 42493 | P6_3mc (186) | ✗ | 4 | 32 | 0 | 0.0 | 0.001 | 0.296 | (0;000) | ✔ | 06/10/16 |
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 |
GeO2 | ICSD | 158598 | Pmnn (58) | ✔ | 6 | 32 | 3 | 3.2329 | 3.286 | 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 |
ZrBrN | ICSD | 27393 | Pmmn (59) | ✔ | 6 | 32 | 2 | 1.224 | 1.224 | 0.000 | (0;000) | ✗ | 27/01/17 |
LaGa | ICSD | 423623 | Cmcm (63) | ✔ | 4 | 32 | 3 | 0.0 | 0.008 | 0.299 | (1;000) | ✗ | 06/10/16 |
Sr(Li2P)2 | ICSD | 416888 | R-3m (166) | ✔ | 7 | 32 | 1 | 0.9815 | 1.785 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrBrN | ICSD | 51771 | R-3m (166) | ✔ | 6 | 32 | 2 | 1.2522 | 1.887 | 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 |
Os | COD | 9008510 | P6_3/mmc (194) | ✔ | 2 | 32 | 3 | 0.0 | 0.016 | 0.519 | (0;000) | ✗ | 27/01/17 |
GeO2 | COD | 9006853 | P4_2/mnm (136) | ✔ | 6 | 32 | 3 | 2.1978 | 2.198 | 0.000 | (0;000) | ✗ | 27/01/17 |
YN | ICSD | 161078 | P6_3mc (186) | ✗ | 4 | 32 | 3 | 2.4206 | 2.723 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaZrO3 | COD | 5910140 | Pm-3m (221) | ✔ | 5 | 32 | 3 | 2.8438 | 2.844 | 0.000 | (0;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 |
BaO | COD | 1527735 | P4/nmm (129) | ✔ | 4 | 32 | 3 | 1.9651 | 1.965 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ge | COD | 9013109 | Cmce (64) | ✔ | 8 | 32 | 3 | 0.0 | 0.011 | 0.466 | (1;000) | ✗ | 27/01/17 |
CO2 | ICSD | 188890 | I-42d (122) | ✗ | 6 | 32 | 3 | 7.0217 | 7.119 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ge | ICSD | 173890 | Ia3 (206) | ✔ | 8 | 32 | 3 | 0.0 | 0.000 | 0.231 | (1;111) | ✗ | 27/01/17 |
BaZrO3 | COD | 1532743 | Pm-3m (221) | ✔ | 5 | 32 | 3 | 2.7993 | 2.799 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaCO3 | ICSD | 158390 | R3m (160) | ✗ | 5 | 32 | 1 | 3.7237 | 3.789 | 0.000 | (0;000) | ✗ | 06/10/16 |
CO2 | COD | 1517803 | P4_2/mnm (136) | ✔ | 6 | 32 | 1 | 5.8825 | 6.623 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaCO3 | ICSD | 158389 | R3m (160) | ✗ | 5 | 32 | 1 | 3.7206 | 3.786 | 0.000 | (0;000) | ✗ | 06/10/16 |
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 |
Sr2BrN | COD | 1528372 | R-3m (166) | ✔ | 4 | 32 | 1 | 1.8948 | 1.895 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgTe | ICSD | 168348 | P6_3mc (186) | ✗ | 4 | 32 | 3 | 2.059 | 2.059 | 0.000 | (0;000) | ✗ | 06/10/16 |
CI4 | ICSD | 30789 | I-42m (121) | ✗ | 5 | 32 | 1 | 0.9413 | 0.943 | 0.000 | (0;000) | ✗ | 06/10/16 |
C | COD | 9012231 | Cmme (67) | ✔ | 8 | 32 | 2 | 0.0 | 0.009 | 0.643 | (0;001) | ✗ | 27/01/17 |
MgSe | ICSD | 658986 | P6_3mc (186) | ✗ | 4 | 32 | 3 | 2.3123 | 2.313 | 0.000 | (0;000) | ✗ | 06/10/16 |
MgO | ICSD | 161842 | P6_3mc (186) | ✗ | 4 | 32 | 3 | 3.6457 | 3.646 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiGa | COD | 1523146 | Fd-3m (227) | ✔ | 4 | 32 | 3 | 0.0 | 0.013 | 0.218 | (0;000) | ✗ | 27/01/17 |
Li2Ca | ICSD | 413207 | Fd-3m (227) | ✔ | 6 | 32 | 1 | 0.0 | 0.001 | 0.744 | (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 |
Li2ZnSn | COD | 1522875 | Fm-3m (225) | ✔ | 4 | 32 | 3 | 0.0 | 0.000 | 0.574 | (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 |
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 | 1010901 | Pm-3m (221) | ✔ | 5 | 32 | 3 | 0.0 | 0.007 | 0.627 | (0;000) | ✗ | 27/01/17 |
CSe2 | ICSD | 60374 | Cmce (64) | ✔ | 6 | 32 | 1 | 1.8396 | 2.057 | 0.000 | (0;000) | ✗ | 27/01/17 |
CS2 | ICSD | 15672 | Cmce (64) | ✔ | 6 | 32 | 1 | 0.3788 | 0.877 | 0.000 | (0;000) | ✗ | 06/10/16 |
CO2 | ICSD | 110776 | Pnnm (58) | ✔ | 6 | 32 | 1 | 2.2578 | 3.149 | 0.000 | (0;000) | ✗ | 06/10/16 |