▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Li3VO4 | COD | 1528868 | Pmn2_1 (31) | ✗ | 16 | 92 | 1 | 4.0483 | 4.077 | 0.000 | (0;000) | ✗ | 15/02/17 |
Al3Mo | COD | 1522870 | Cm (8) | ✗ | 16 | 92 | 3 | 0.0 | 0.020 | 0.210 | ? | ✗ | 04/08/17 |
GaPt | ICSD | 635132 | P2_13 (198) | ✗ | 8 | 92 | 3 | 0.0 | 0.000 | 0.380 | (0;111) | ✔ | 11/04/17 |
K2P2Pd | COD | 7221367 | Cmcm (63) | ✔ | 10 | 92 | 2 | 0.4933 | 0.567 | 0.000 | (0;000) | ✗ | 02/02/17 |
YO2 | COD | 1528091 | P2_1/c (14) | ✔ | 12 | 92 | 3 | 0.0 | 0.003 | 0.446 | (0;010) | ✗ | 02/02/17 |
S2NO | ICSD | 410547 | P-1 (2) | ✔ | 16 | 92 | 1 | 2.1152 | 2.481 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr(InP)2 | COD | 2017324 | P6_3/mmc (194) | ✔ | 10 | 92 | 2 | 0.3909 | 0.391 | 0.000 | (0;000) | ✗ | 02/02/17 |
WO3 | COD | 1521533 | P4/nmm (129) | ✔ | 8 | 92 | 3 | 0.5769 | 0.585 | 0.000 | (0;000) | ✗ | 11/04/17 |
RbSO4F | ICSD | 8275 | P-1 (2) | ✔ | 14 | 92 | 1 | 3.4419 | 3.442 | 0.000 | (0;000) | ✗ | 02/02/17 |
YSi3 | ICSD | 263005 | I4/mmm (139) | ✔ | 16 | 92 | 3 | 0.0 | 0.004 | 0.638 | (0;000) | ✗ | 02/02/17 |
Mo2S3 | COD | 1527605 | P2_1/m (11) | ✔ | 10 | 92 | 3 | 0.0 | 0.021 | 0.866 | (1;001) | ✗ | 27/01/17 |
SiMo3 | ICSD | 644417 | Pm-3n (223) | ✔ | 8 | 92 | 3 | 0.0 | 0.000 | 0.864 | (0;111) | ✗ | 27/01/17 |
ZrMnSi | ICSD | 76236 | Pnma (62) | ✔ | 12 | 92 | 3 | 0.0 | 0.000 | 0.849 | (1;011) | ✗ | 27/01/17 |
Cr2O3 | COD | 1011067 | R-3c (167) | ✔ | 10 | 92 | 3 | 0.0 | 0.020 | 0.757 | (1;000) | ✗ | 27/01/17 |
Ti3Pt | COD | 1523943 | Pm-3n (223) | ✔ | 8 | 92 | 3 | 0.0 | 0.004 | 0.692 | (1;000) | ✗ | 27/01/17 |
YB4 | COD | 8103481 | P4/mbm (127) | ✔ | 20 | 92 | 3 | 0.0 | 0.002 | 0.218 | (1;001) | ✗ | 02/02/17 |
MnInO3 | ICSD | 67671 | P6_3/mmc (194) | ✔ | 10 | 92 | 3 | 0.0 | 0.013 | 0.600 | (0;000) | ✗ | 27/01/17 |
Cs2GeS4 | COD | 2202360 | C2/m (12) | ✔ | 14 | 92 | 1 | 2.4232 | 2.451 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrMo3 | COD | 1523052 | Pm-3n (223) | ✔ | 8 | 92 | 3 | 0.0 | 0.000 | 0.613 | (1;111) | ✗ | 27/01/17 |
Ca3SnH2 | ICSD | 165615 | Cmcm (63) | ✔ | 12 | 92 | 1 | 0.133 | 0.133 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hf3(NiGe)4 | ICSD | 86690 | Immm (71) | ✔ | 11 | 92 | 3 | 0.0 | 0.030 | 0.168 | (1;111) | ✗ | 27/01/17 |
LiBiF4 | ICSD | 65404 | I4_1/a (88) | ✔ | 12 | 92 | 3 | 4.0319 | 4.162 | 0.000 | (0;000) | ✗ | 05/01/17 |
MgCd3 | COD | 4123953 | P6_3/mmc (194) | ✔ | 8 | 92 | 3 | 0.0 | 0.002 | 0.554 | (1;000) | ✗ | 27/01/17 |
Cs2Sb2Pd | ICSD | 658702 | Cmcm (63) | ✔ | 10 | 92 | 3 | 0.6383 | 0.788 | 0.000 | (0;000) | ✗ | 02/02/17 |
HfCo2 | COD | 1524140 | Fd-3m (227) | ✔ | 6 | 92 | 3 | 0.0 | 0.000 | 0.620 | (0;000) | ✗ | 27/01/17 |
BaIn | ICSD | 414228 | Cmcm (63) | ✔ | 8 | 92 | 1 | 0.0 | 0.011 | 0.250 | (1;000) | ✗ | 02/02/17 |
Zn3P2 | COD | 1010126 | Pn-3m (224) | ✔ | 10 | 92 | 3 | 0.0 | 0.004 | 0.124 | (0;000) | ✗ | 27/01/17 |
Cd2As3Br | ICSD | 100815 | Cc (9) | ✗ | 12 | 92 | 3 | 0.7894 | 1.283 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cd2As3I | ICSD | 8216 | Cc (9) | ✗ | 12 | 92 | 3 | 0.8427 | 1.115 | 0.000 | (0;000) | ✗ | 06/10/16 |
Zn2CuAu | ICSD | 150572 | Pmmn (59) | ✔ | 8 | 92 | 3 | 0.0 | 0.042 | 0.873 | (1;000) | ✗ | 05/01/17 |
CuS2 | COD | 9000742 | Pa3 (205) | ✔ | 12 | 92 | 3 | 0.0 | 0.000 | 0.749 | (0;111) | ✗ | 27/01/17 |
TiPt8 | COD | 1522696 | I4/mmm (139) | ✔ | 9 | 92 | 3 | 0.0 | 0.005 | 0.901 | (0;000) | ✗ | 27/01/17 |
Cr2GaN | ICSD | 53124 | P6_3/mmc (194) | ✔ | 8 | 92 | 3 | 0.0 | 0.002 | 0.652 | (0;000) | ✗ | 27/01/17 |
Ca3H2Pb | ICSD | 165616 | Cmcm (63) | ✔ | 12 | 92 | 1 | 0.0 | 0.005 | 0.020 | (0;000) | ✗ | 02/02/17 |
PdPb2 | COD | 1524520 | I4/mcm (140) | ✔ | 6 | 92 | 3 | 0.0 | 0.009 | 0.603 | (0;000) | ✗ | 27/01/17 |
CuAuSe4 | COD | 4331413 | P2_1/m (11) | ✔ | 12 | 92 | 3 | 0.0 | 0.639 | 0.074 | (0;000) | ✗ | 02/02/17 |
LiMnF4 | ICSD | 62655 | P2_1/c (14) | ✔ | 12 | 92 | 2 | 0.0 | 0.015 | 0.136 | (0;000) | ✗ | 27/01/17 |
Cs2SiSe4 | COD | 8102891 | C2/m (12) | ✔ | 14 | 92 | 1 | 2.0342 | 2.048 | 0.000 | (0;000) | ✗ | 02/02/17 |
Zr5AgSb3 | ICSD | 605789 | P6_3/mcm (193) | ✔ | 18 | 92 | 3 | 0.0 | 0.003 | 0.643 | (0;000) | ✗ | 30/01/17 |
BaFeF4 | ICSD | 65252 | Ccm2_1 (36) | ✗ | 12 | 92 | 2 | 0.0333 | 0.270 | 0.000 | (0;000) | ✔ | 06/10/16 |
BaFeF4 | ICSD | 82765 | Ccm2_1 (36) | ✗ | 12 | 92 | 2 | 0.0565 | 0.274 | 0.000 | (0;000) | ✔ | 06/10/16 |
KHgC2IN2 | ICSD | 18198 | Cmcm (63) | ✔ | 14 | 92 | 1 | 2.5564 | 2.847 | 0.000 | (0;000) | ✗ | 02/02/17 |
C2N3 | COD | 4029897 | Cmce (64) | ✔ | 20 | 92 | 1 | 1.3238 | 1.324 | 0.000 | (0;000) | ✗ | 02/02/17 |
VINCl3 | ICSD | 10470 | P-1 (2) | ✔ | 12 | 92 | 3 | 0.0 | 0.063 | 0.144 | (0;000) | ✗ | 02/02/17 |
ZrCrP | ICSD | 626529 | Pnma (62) | ✔ | 12 | 92 | 3 | 0.0 | 0.000 | 0.608 | (0;011) | ✗ | 27/01/17 |
Hg2P3Cl | ICSD | 74771 | C2/c (15) | ✔ | 12 | 92 | 3 | 1.102 | 1.651 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sc3In | COD | 2310365 | P6_3/mmc (194) | ✔ | 8 | 92 | 3 | 0.0 | 0.000 | 0.650 | (1;000) | ✗ | 27/01/17 |
AlTl(MoO4)2 | ICSD | 250339 | P-3m1 (164) | ✔ | 12 | 92 | 2 | 3.8281 | 3.985 | 0.000 | (0;000) | ✗ | 05/01/17 |
ScFeSi | ICSD | 84203 | Pnma (62) | ✔ | 12 | 92 | 3 | 0.0 | 0.001 | 0.734 | (0;011) | ✗ | 27/01/17 |
AlPt2 | ICSD | 656680 | Pnma (62) | ✔ | 12 | 92 | 3 | 0.0 | 0.003 | 0.416 | (0;011) | ✗ | 05/01/17 |