▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ca | COD | 9008530 | Im-3m (229) | ✔ | 1 | 10 | 1 | 0.0 | 0.000 | 0.444 | (0;000) | ✗ | 27/01/17 |
NaH | COD | 9008680 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 3.7143 | 4.558 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr | ICSD | 41236 | P6/mmm (191) | ✔ | 1 | 10 | 1 | 0.0 | 0.018 | 0.306 | (0;000) | ✗ | 27/01/17 |
RbH | COD | 9008709 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 2.9175 | 2.918 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiAlGe | COD | 2014790 | F-43m (216) | ✗ | 3 | 10 | 3 | 0.0 | 1.319 | 0.042 | (0;000) | ✔ | 15/02/17 |
BeAlB | ICSD | 43828 | F-43m (216) | ✗ | 3 | 10 | 3 | 0.0 | 2.310 | 0.095 | (0;000) | ✔ | 15/02/17 |
BeSe | ICSD | 183374 | F-43m (216) | ✗ | 2 | 10 | 1 | 2.4499 | 4.314 | 0.000 | (0;000) | ✗ | 06/10/16 |
BeS | ICSD | 183373 | F-43m (216) | ✗ | 2 | 10 | 1 | 3.0264 | 5.598 | 0.000 | (0;000) | ✗ | 06/10/16 |
BeO | ICSD | 163467 | F-43m (216) | ✗ | 2 | 10 | 1 | 6.9092 | 7.605 | 0.000 | (0;000) | ✗ | 06/10/16 |
GeTe | ICSD | 159907 | R3m (160) | ✗ | 2 | 10 | 3 | 0.3876 | 0.455 | 0.000 | (0;000) | ✔ | 06/10/16 |
SbAs | COD | 9001315 | R-3m (166) | ✔ | 2 | 10 | 3 | 0.0 | 0.157 | 0.276 | (0;000) | ✗ | 05/01/17 |
LiF | COD | 9008667 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 9.1231 | 9.123 | 0.000 | (0;000) | ✗ | 27/01/17 |
BrN | COD | 9016337 | Pm-3m (221) | ✔ | 2 | 12 | 1 | 0.0 | 0.007 | 0.619 | (0;000) | ✗ | 27/01/17 |
O2 | ICSD | 37059 | Fmmm (69) | ✔ | 2 | 12 | 1 | 0.0 | 0.030 | 0.606 | (0;000) | ✗ | 27/01/17 |
Zn | COD | 4030923 | P-1 (2) | ✔ | 1 | 12 | 1 | 4.7443 | 4.746 | 0.000 | (0;000) | ✗ | 02/02/17 |
NCl | COD | 9016568 | P4mm (99) | ✗ | 2 | 12 | 1 | 0.0 | 0.012 | 0.009 | (0;000) | ✔ | 15/02/17 |
IN | COD | 9014835 | Fm-3m (225) | ✔ | 2 | 12 | 1 | 0.0 | 0.034 | 0.639 | (0;000) | ✗ | 30/01/17 |
IN | COD | 9015547 | Pm-3m (221) | ✔ | 2 | 12 | 1 | 0.0 | 0.005 | 0.477 | (1;111) | ✗ | 30/01/17 |
Se | ICSD | 659254 | C2/c (15) | ✔ | 2 | 12 | 3 | 0.0 | 0.230 | 0.511 | (0;110) | ✗ | 15/02/17 |
Te | ICSD | 52499 | R-3m (166) | ✔ | 2 | 12 | 3 | 0.0 | 0.136 | 0.557 | (1;000) | ✗ | 27/01/17 |
Ti | COD | 9012924 | Im-3m (229) | ✔ | 1 | 12 | 3 | 0.0 | 0.000 | 0.546 | (0;000) | ✗ | 27/01/17 |
NCl | COD | 9007494 | Pm-3m (221) | ✔ | 2 | 12 | 1 | 0.0 | 0.011 | 0.693 | (0;000) | ✗ | 27/01/17 |
Cd | COD | 4030924 | P-1 (2) | ✔ | 1 | 12 | 1 | 4.3147 | 4.315 | 0.000 | (0;000) | ✗ | 02/02/17 |
O2 | ICSD | 190369 | R-3m (166) | ✔ | 2 | 12 | 1 | 0.0 | 0.027 | 0.525 | (0;000) | ✗ | 27/01/17 |
BrN | COD | 9015934 | Fm-3m (225) | ✔ | 2 | 12 | 1 | 0.0 | 0.067 | 0.688 | (0;000) | ✗ | 27/01/17 |
LiB | ICSD | 236960 | P6_3/mmc (194) | ✔ | 4 | 12 | 1 | 0.0 | 0.002 | 0.218 | (0;000) | ✗ | 27/01/17 |
Se | ICSD | 150731 | Fd-3m (227) | ✔ | 2 | 12 | 3 | 0.0 | 0.198 | 0.423 | (0;000) | ✗ | 27/01/17 |
ZrBe2 | ICSD | 616515 | P6/mmm (191) | ✔ | 3 | 12 | 1 | 0.0 | 0.004 | 0.679 | (0;000) | ✗ | 05/01/17 |
LiIr | ICSD | 104487 | P-6m2 (187) | ✗ | 2 | 12 | 2 | 0.0 | 0.124 | 0.202 | (0;000) | ✔ | 06/10/16 |
O2 | COD | 1512527 | C2/m (12) | ✔ | 2 | 12 | 1 | 0.0 | 0.027 | 0.813 | (0;000) | ✗ | 27/01/17 |
Al2O | ICSD | 28919 | Fm-3m (225) | ✔ | 3 | 12 | 3 | 0.0 | 0.005 | 0.231 | (0;000) | ✗ | 05/01/17 |
SO | COD | 7102430 | Fm-3m (225) | ✔ | 2 | 12 | 1 | 0.0 | 0.038 | 0.656 | (0;000) | ✗ | 27/01/17 |
Be2C | COD | 9009053 | Fm-3m (225) | ✔ | 3 | 12 | 1 | 1.1755 | 4.135 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiH8 | ICSD | 169739 | I-4m2 (119) | ✗ | 9 | 12 | 1 | 6.0135 | 6.275 | 0.000 | (0;000) | ✗ | 06/10/16 |
AlH3 | COD | 4343801 | R-3c (167) | ✔ | 8 | 12 | 3 | 2.287 | 2.372 | 0.000 | (0;000) | ✗ | 05/01/17 |
LiAl | ICSD | 608345 | Fd-3m (227) | ✔ | 4 | 12 | 3 | 0.0 | 0.458 | 0.208 | (0;000) | ✗ | 05/01/17 |
LiAl3 | ICSD | 57952 | Pm-3m (221) | ✔ | 4 | 12 | 3 | 0.0 | 0.000 | 0.820 | (0;000) | ✗ | 05/01/17 |
Li2Se | COD | 9009061 | Fm-3m (225) | ✔ | 3 | 12 | 1 | 2.8431 | 3.253 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2S | COD | 9009060 | Fm-3m (225) | ✔ | 3 | 12 | 1 | 3.3651 | 4.208 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2O | COD | 1514092 | Fm-3m (225) | ✔ | 3 | 12 | 1 | 4.981 | 5.252 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2Te | COD | 9009062 | Fm-3m (225) | ✔ | 3 | 12 | 1 | 2.2058 | 2.887 | 0.000 | (0;000) | ✗ | 27/01/17 |
Hg | ICSD | 43558 | I4/mmm (139) | ✔ | 1 | 12 | 3 | 0.0 | 0.043 | 0.465 | (1;111) | ✗ | 27/01/17 |
Hg | COD | 1512511 | Im-3m (229) | ✔ | 1 | 12 | 3 | 0.0 | 0.588 | 0.248 | (0;000) | ✗ | 27/01/17 |
O2 | ICSD | 92775 | Cmcm (63) | ✔ | 2 | 12 | 1 | 0.0 | 0.025 | 0.339 | (0;000) | ✗ | 27/01/17 |
Hf | ICSD | 76412 | Im-3m (229) | ✔ | 1 | 12 | 3 | 0.0 | 0.000 | 0.525 | (0;000) | ✗ | 27/01/17 |
Hg | ICSD | 174005 | R-3m (166) | ✔ | 1 | 12 | 3 | 0.0 | 0.032 | 0.397 | (1;000) | ✗ | 27/01/17 |
F2 | COD | 9012471 | C2/m (12) | ✔ | 2 | 14 | 1 | 2.5205 | 2.521 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiH2 | ICSD | 166235 | Fm-3m (225) | ✔ | 3 | 14 | 3 | 0.0 | 0.016 | 0.315 | (1;000) | ✗ | 27/01/17 |
FeSe | ICSD | 53543 | P4/mmm (123) | ✔ | 2 | 14 | 2 | 0.0 | 0.001 | 0.695 | (0;110) | ✗ | 27/01/17 |
TiH2 | ICSD | 169609 | I4/mmm (139) | ✔ | 3 | 14 | 3 | 0.0 | 0.017 | 0.130 | (1;000) | ✗ | 27/01/17 |
PtC | ICSD | 181113 | F-43m (216) | ✗ | 2 | 14 | 3 | 0.0 | 0.018 | 0.705 | (1;000) | ✔ | 06/10/16 |
PtC | ICSD | 181345 | Fm-3m (225) | ✔ | 2 | 14 | 3 | 0.0 | 0.168 | 0.273 | (0;000) | ✗ | 06/10/16 |
Sn | ICSD | 652713 | I4/mmm (139) | ✔ | 1 | 14 | 2 | 0.0 | 0.263 | 0.616 | (0;000) | ✗ | 27/01/17 |
Cr | COD | 9008531 | Im-3m (229) | ✔ | 1 | 14 | 3 | 0.0 | 0.000 | 0.523 | (0;111) | ✗ | 27/01/17 |
Sn | ICSD | 35503 | C2/m (12) | ✔ | 1 | 14 | 1 | 0.0 | 0.300 | 0.504 | (0;000) | ✗ | 02/02/17 |
Cr | COD | 9008467 | Fm-3m (225) | ✔ | 1 | 14 | 3 | 0.0 | 0.021 | 0.440 | (0;000) | ✗ | 27/01/17 |
LiC | COD | 1521871 | Immm (71) | ✔ | 4 | 14 | 1 | 3.5408 | 3.819 | 0.000 | (0;000) | ✗ | 27/01/17 |
W | COD | 9006499 | Im-3m (229) | ✔ | 1 | 14 | 3 | 0.0 | 0.000 | 0.473 | (0;111) | ✗ | 27/01/17 |
Sn | COD | 9012005 | Fm-3m (225) | ✔ | 1 | 14 | 1 | 0.0 | 0.262 | 0.540 | (0;000) | ✗ | 27/01/17 |
PtC | ICSD | 169405 | P-6m2 (187) | ✗ | 2 | 14 | 3 | 0.0 | 0.012 | 0.443 | (1;000) | ✔ | 06/10/16 |
Sn | ICSD | 236751 | Im-3m (229) | ✔ | 1 | 14 | 3 | 0.0 | 0.000 | 0.755 | (1;111) | ✗ | 27/01/17 |
PdC | ICSD | 183174 | F-43m (216) | ✗ | 2 | 14 | 3 | 0.0 | 0.000 | 0.717 | (1;000) | ✔ | 06/10/16 |
NaBi | ICSD | 58816 | P4/mmm (123) | ✔ | 2 | 14 | 2 | 0.0 | 0.106 | 0.422 | (1;000) | ✗ | 06/10/16 |
FeO | ICSD | 82236 | R-3m (166) | ✔ | 2 | 14 | 3 | 0.0 | 0.086 | 0.246 | (0;000) | ✗ | 06/10/16 |
CN2 | ICSD | 247678 | I-4m2 (119) | ✗ | 3 | 14 | 3 | 0.1717 | 0.173 | 0.000 | (0;000) | ✔ | 06/10/16 |
AlAu | ICSD | 57495 | Pm-3m (221) | ✔ | 2 | 14 | 3 | 0.0 | 0.006 | 0.526 | (0;111) | ✗ | 05/01/17 |
ZrPt | COD | 1523369 | Pm-3m (221) | ✔ | 2 | 14 | 3 | 0.0 | 0.000 | 0.829 | (0;111) | ✗ | 27/01/17 |
LiAg | COD | 9008815 | Pm-3m (221) | ✔ | 2 | 14 | 3 | 0.0 | 0.195 | 0.497 | (0;111) | ✗ | 05/01/17 |
Pb | ICSD | 54314 | Im-3m (229) | ✔ | 1 | 14 | 3 | 0.0 | 0.000 | 0.720 | (1;111) | ✗ | 27/01/17 |
IrN | ICSD | 167880 | F-43m (216) | ✗ | 2 | 14 | 3 | 0.0 | 0.146 | 0.582 | (0;000) | ✔ | 06/10/16 |
Pb | COD | 9012004 | Fm-3m (225) | ✔ | 1 | 14 | 3 | 0.0 | 1.012 | 0.559 | (0;000) | ✗ | 27/01/17 |
RbSb | ICSD | 191491 | F-43m (216) | ✗ | 2 | 14 | 1 | 0.0 | 0.000 | 0.134 | (0;000) | ✔ | 06/10/16 |
ScAl | ICSD | 609299 | Pm-3m (221) | ✔ | 2 | 14 | 3 | 0.0 | 0.031 | 0.347 | (1;111) | ✗ | 05/01/17 |
CsN | ICSD | 29106 | Pm-3m (221) | ✔ | 2 | 14 | 1 | 0.0 | 0.000 | 0.697 | (0;000) | ✗ | 27/01/17 |
Li3Sb | COD | 1011380 | Fm-3m (225) | ✔ | 4 | 14 | 1 | 0.4978 | 2.071 | 0.000 | (0;000) | ✗ | 27/01/17 |
YAl | ICSD | 58210 | Pm-3m (221) | ✔ | 2 | 14 | 3 | 0.0 | 0.044 | 0.474 | (1;111) | ✗ | 05/01/17 |
Mo | ICSD | 45000 | P6/mmm (191) | ✔ | 1 | 14 | 3 | 0.0 | 0.002 | 0.500 | (1;001) | ✗ | 27/01/17 |
FeB2 | COD | 1510682 | P6/mmm (191) | ✔ | 3 | 14 | 3 | 0.0 | 0.001 | 0.477 | (1;000) | ✗ | 05/01/17 |
Li3N | COD | 4311893 | P6/mmm (191) | ✔ | 4 | 14 | 0 | 1.0073 | 1.215 | 0.000 | (0;000) | ✗ | 27/01/17 |
Mo | COD | 9008474 | Fm-3m (225) | ✔ | 1 | 14 | 3 | 0.0 | 0.010 | 0.426 | (0;000) | ✗ | 27/01/17 |
FeO | COD | 1011198 | Fm-3m (225) | ✔ | 2 | 14 | 3 | 0.0 | 0.073 | 0.319 | (0;000) | ✗ | 27/01/17 |
HfH2 | ICSD | 24721 | I4/mmm (139) | ✔ | 3 | 14 | 3 | 0.0 | 0.155 | 0.144 | (0;000) | ✗ | 27/01/17 |
BeNi | ICSD | 616363 | Pm-3m (221) | ✔ | 2 | 14 | 3 | 0.0 | 0.033 | 0.428 | (0;000) | ✗ | 05/01/17 |
ZrH2 | ICSD | 24624 | I4/mmm (139) | ✔ | 3 | 14 | 3 | 0.0 | 0.045 | 0.153 | (0;000) | ✗ | 06/10/16 |
CoN | ICSD | 161754 | F-43m (216) | ✗ | 2 | 14 | 3 | 0.0 | 0.000 | 0.708 | (1;000) | ✔ | 06/10/16 |
Mo | COD | 9012432 | Im-3m (229) | ✔ | 1 | 14 | 3 | 0.0 | 0.000 | 0.546 | (0;111) | ✗ | 27/01/17 |
AlAs | ICSD | 67771 | P6_3mc (186) | ✗ | 4 | 16 | 3 | 1.599 | 1.705 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ge | COD | 7101739 | Fd-3m (227) | ✔ | 4 | 16 | 3 | 0.0 | 0.012 | 0.616 | (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 |
RbF | COD | 9008708 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 5.7132 | 5.782 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ge | ICSD | 636533 | P6_3/mmc (194) | ✔ | 4 | 16 | 3 | 0.0 | 0.016 | 0.006 | (1;000) | ✗ | 27/01/17 |
BP | ICSD | 615155 | P6_3mc (186) | ✗ | 4 | 16 | 1 | 1.5643 | 1.691 | 0.000 | (0;000) | ✗ | 06/10/16 |
CSO | ICSD | 33540 | R3m (160) | ✗ | 3 | 16 | 1 | 4.804 | 4.970 | 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 |
AgN | ICSD | 167874 | F-43m (216) | ✗ | 2 | 16 | 3 | 0.0 | 0.010 | 0.885 | (1;111) | ✔ | 06/10/16 |
B2AsP | ICSD | 181293 | P-4m2 (115) | ✗ | 4 | 16 | 3 | 1.104 | 1.257 | 0.000 | (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 |
CsF | COD | 9008621 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 5.4775 | 5.478 | 0.000 | (0;000) | ✗ | 27/01/17 |
CIN | ICSD | 77911 | R3m (160) | ✗ | 3 | 16 | 1 | 3.8512 | 3.926 | 0.000 | (0;000) | ✗ | 06/10/16 |
BC2N | ICSD | 191797 | Pmm2 (25) | ✗ | 4 | 16 | 3 | 2.0673 | 2.222 | 0.000 | (0;000) | ✗ | 06/10/16 |