▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
HfCo2Sn | ICSD | 623806 | Fm-3m (225) | ✔ | 4 | 60 | 3 | 0.0 | 0.044 | 0.664 | (0;000) | ✗ | 27/01/17 |
CrWN2 | ICSD | 84639 | R3m (160) | ✗ | 4 | 38 | 3 | 0.0 | 0.022 | 1.000 | (1;110) | ✔ | 05/12/16 |
MnCo2Sb | ICSD | 624129 | Fm-3m (225) | ✔ | 4 | 54 | 3 | 0.0 | 0.000 | 0.630 | (0;000) | ✗ | 27/01/17 |
TaCo3 | COD | 1525075 | Pm-3m (221) | ✔ | 4 | 64 | 3 | 0.0 | 0.000 | 0.599 | (1;000) | ✗ | 27/01/17 |
Ba2NF | ICSD | 262049 | R-3m (166) | ✔ | 4 | 32 | 1 | 0.9466 | 0.947 | 0.000 | (0;000) | ✗ | 05/01/17 |
BP | ICSD | 615155 | P6_3mc (186) | ✗ | 4 | 16 | 1 | 1.5643 | 1.691 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba2NCl | ICSD | 262051 | R-3m (166) | ✔ | 4 | 32 | 1 | 0.9986 | 0.999 | 0.000 | (0;000) | ✗ | 05/01/17 |
ZnS | ICSD | 184810 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 2.4085 | 2.409 | 0.000 | (0;000) | ✗ | 06/10/16 |
RbMnTe2 | ICSD | 87984 | I-4m2 (119) | ✗ | 4 | 36 | 2 | 0.0 | 0.003 | 0.593 | (1;010) | ✔ | 07/10/16 |
Ba2PCl | ICSD | 28134 | R-3m (166) | ✔ | 4 | 32 | 1 | 0.9165 | 0.956 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2HN | COD | 4030485 | R-3m (166) | ✔ | 4 | 26 | 1 | 1.046 | 1.336 | 0.000 | (0;000) | ✗ | 05/01/17 |
C | COD | 1512497 | P6_3/mmc (194) | ✔ | 4 | 16 | 2 | 0.0 | 0.000 | 0.043 | (0;000) | ✗ | 27/01/17 |
YS | ICSD | 69042 | Fmm2 (42) | ✗ | 4 | 34 | 2 | 0.0 | 0.003 | 0.567 | (0;111) | ✔ | 06/10/16 |
Ba2BrN | ICSD | 262056 | R-3m (166) | ✔ | 4 | 32 | 1 | 0.9748 | 0.975 | 0.000 | (0;000) | ✗ | 05/01/17 |
VGaCo2 | COD | 1524871 | Fm-3m (225) | ✔ | 4 | 60 | 3 | 0.0 | 0.011 | 0.486 | (0;000) | ✗ | 27/01/17 |
SnS | ICSD | 79374 | C2me (39) | ✗ | 4 | 40 | 2 | 1.0723 | 1.072 | 0.000 | (0;000) | ✗ | 06/10/16 |
SnS | ICSD | 67442 | Cm2e (39) | ✗ | 4 | 40 | 2 | 1.0017 | 1.005 | 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 |
KMnTe2 | ICSD | 87983 | I-4m2 (119) | ✗ | 4 | 36 | 2 | 0.0 | 0.002 | 0.598 | (1;110) | ✔ | 07/10/16 |
TiCo2Ge | ICSD | 623633 | Fm-3m (225) | ✔ | 4 | 50 | 3 | 0.0 | 0.012 | 0.690 | (0;000) | ✗ | 27/01/17 |
InCl | ICSD | 2432 | Ccm2_1 (36) | ✗ | 4 | 40 | 3 | 1.4416 | 1.525 | 0.000 | (0;000) | ✗ | 06/10/16 |
MnGaCo2 | ICSD | 623116 | Fm-3m (225) | ✔ | 4 | 62 | 3 | 0.0 | 0.004 | 0.260 | (0;000) | ✗ | 27/01/17 |
AgI | ICSD | 62789 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 1.1299 | 1.130 | 0.000 | (0;000) | ✗ | 06/10/16 |
InCl | ICSD | 2431 | Cc2m (40) | ✗ | 4 | 40 | 1 | 1.4421 | 1.528 | 0.000 | (0;000) | ✗ | 06/10/16 |
NbGaCo2 | COD | 1524143 | Fm-3m (225) | ✔ | 4 | 60 | 3 | 0.0 | 0.023 | 0.653 | (0;000) | ✗ | 27/01/17 |
ZnCdSe2 | ICSD | 188387 | P-4m2 (115) | ✗ | 4 | 36 | 3 | 0.5052 | 0.505 | 0.000 | (0;000) | ✗ | 07/10/16 |
RbMnSe2 | ICSD | 50819 | I-4m2 (119) | ✗ | 4 | 36 | 2 | 0.0 | 0.003 | 0.529 | (1;100) | ✔ | 07/10/16 |
ZnCdS2 | ICSD | 168375 | P-4m2 (115) | ✗ | 4 | 36 | 3 | 1.4199 | 1.420 | 0.000 | (0;000) | ✗ | 07/10/16 |
NaC | ICSD | 95835 | Immm (71) | ✔ | 4 | 26 | 1 | 3.6931 | 3.727 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaGaCo2 | COD | 1524886 | Fm-3m (225) | ✔ | 4 | 60 | 3 | 0.0 | 0.058 | 0.617 | (0;000) | ✗ | 27/01/17 |
ZnCo2Ge | ICSD | 52994 | Fm-3m (225) | ✔ | 4 | 50 | 3 | 0.0 | 0.012 | 0.520 | (0;000) | ✗ | 27/01/17 |
CrTe | COD | 1525990 | P6_3/mmc (194) | ✔ | 4 | 40 | 3 | 0.0 | 0.009 | 0.342 | (1;000) | ✗ | 27/01/17 |
Sb3Au | COD | 1510290 | Im-3m (229) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.613 | (1;000) | ✗ | 05/01/17 |
CdTe | ICSD | 150941 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.5613 | 0.561 | 0.000 | (0;000) | ✗ | 06/10/16 |
KAuO2 | COD | 1510202 | Pmmm (47) | ✔ | 4 | 32 | 1 | 1.0493 | 1.524 | 0.000 | (0;000) | ✗ | 05/01/17 |
TiPd | ICSD | 167649 | P2_1/m (11) | ✔ | 4 | 44 | 3 | 0.0 | 0.000 | 0.849 | (0;000) | ✔ | 06/10/16 |
AuSe | COD | 1510294 | C2/m (12) | ✔ | 4 | 34 | 2 | 0.0 | 0.719 | 0.042 | (0;000) | ✗ | 05/01/17 |
PbSe | ICSD | 74334 | F2mm (42) | ✗ | 4 | 40 | 2 | 0.9339 | 0.934 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li3Au | COD | 1510223 | Fm-3m (225) | ✔ | 4 | 20 | 3 | 0.0 | 0.253 | 0.656 | (0;000) | ✗ | 05/01/17 |
ScCl | COD | 4343683 | R-3m (166) | ✔ | 4 | 36 | 2 | 0.0 | 0.004 | 0.709 | (0;000) | ✗ | 27/01/17 |
PbO | ICSD | 62846 | P4/nmm (129) | ✔ | 4 | 40 | 2 | 1.1693 | 2.163 | 0.000 | (0;000) | ✗ | 06/10/16 |
PbS | ICSD | 68712 | C2 (5) | ✗ | 4 | 40 | 2 | 1.0591 | 1.094 | 0.000 | (0;000) | ✗ | 06/10/16 |
TePt | ICSD | 41383 | C2/m (12) | ✔ | 4 | 32 | 2 | 0.0 | 0.077 | 0.748 | (1;111) | ✔ | 06/10/16 |
MnGaNi2 | ICSD | 167566 | I4/mmm (139) | ✔ | 4 | 48 | 3 | 0.0 | 0.003 | 0.606 | (0;111) | ✗ | 06/10/16 |
PbS | ICSD | 68701 | Cm2e (39) | ✗ | 4 | 40 | 2 | 1.0016 | 1.003 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cl2 | COD | 9013120 | Cmce (64) | ✔ | 4 | 28 | 1 | 2.5394 | 2.567 | 0.000 | (0;000) | ✗ | 27/01/17 |
PbS | ICSD | 183255 | P6_3mc (186) | ✗ | 4 | 40 | 2 | 0.8123 | 1.012 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZrNi | ICSD | 105478 | Ccmm (63) | ✔ | 4 | 44 | 3 | 0.0 | 0.007 | 0.409 | (1;000) | ✗ | 06/10/16 |
AuSe | COD | 1510296 | P6_3/mmc (194) | ✔ | 4 | 34 | 3 | 0.0 | 0.000 | 0.857 | (0;000) | ✗ | 05/01/17 |
YCl | ICSD | 30708 | R-3m (166) | ✔ | 4 | 36 | 2 | 0.0 | 0.026 | 0.395 | (0;000) | ✗ | 27/01/17 |