▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▴ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ba2GeAs2 | ICSD | 35151 | P2_1/c (14) | ✔ | 20 | 136 | 1 | 0.5906 | 0.728 | 0.000 | (0;000) | ✗ | 30/01/17 |
K2NbAgS4 | ICSD | 84292 | Fddd (70) | ✔ | 16 | 132 | 1 | 2.1824 | 2.203 | 0.000 | (0;000) | ✗ | 30/01/17 |
K2ZnBr4 | COD | 2001701 | P2_1/m (11) | ✔ | 14 | 116 | 1 | 3.6748 | 3.675 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl5Se2Br | ICSD | 75960 | I4/mcm (140) | ✔ | 16 | 168 | 3 | 0.1085 | 0.117 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2TeI6 | ICSD | 38105 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 1.0948 | 1.391 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsHg2Br5 | COD | 1530529 | P2_1/m (11) | ✔ | 16 | 136 | 1 | 2.1222 | 2.122 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(InP)2 | COD | 2017325 | P2_1/m (11) | ✔ | 20 | 184 | 1 | 0.3999 | 0.411 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ga2PdI8 | ICSD | 413230 | C2/m (12) | ✔ | 11 | 100 | 1 | 1.1575 | 1.304 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ta2Te4Br10O | ICSD | 401906 | P-1 (2) | ✔ | 17 | 126 | 2 | 0.9159 | 1.069 | 0.000 | (0;000) | ✗ | 02/02/17 |
KAgO | COD | 1509421 | I4/mmm (139) | ✔ | 12 | 104 | 1 | 1.5553 | 1.666 | 0.000 | (0;000) | ✗ | 30/01/17 |
CsAgBr2 | COD | 1509157 | Cmcm (63) | ✔ | 8 | 68 | 2 | 2.0615 | 2.492 | 0.000 | (0;000) | ✗ | 30/01/17 |
HCN | ICSD | 76418 | I4mm (107) | ✗ | 3 | 10 | 1 | 6.3817 | 6.740 | 0.000 | (0;000) | ✗ | 15/02/17 |
TaI4 | ICSD | 391406 | P-1 (2) | ✔ | 20 | 164 | 1 | 0.3932 | 0.556 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsVO3 | COD | 1527493 | Pbcm (57) | ✔ | 20 | 160 | 2 | 3.1543 | 3.166 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl3CO3F | ICSD | 2515 | P2_1/m (11) | ✔ | 16 | 136 | 3 | 2.157 | 2.424 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl3BO3 | COD | 1511279 | P6_3/m (176) | ✔ | 14 | 120 | 3 | 1.3717 | 1.560 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaH3CN4O | ICSD | 15874 | Pmma (51) | ✔ | 20 | 84 | 1 | 4.9832 | 4.985 | 0.000 | (0;000) | ✗ | 02/02/17 |
KBeH3 | COD | 4343937 | P2_1/c (14) | ✔ | 20 | 64 | 1 | 3.2474 | 3.247 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaTaAlO5 | ICSD | 50718 | C2/c (15) | ✔ | 16 | 112 | 3 | 3.8797 | 3.978 | 0.000 | (0;000) | ✗ | 30/01/17 |
ICl | ICSD | 23886 | P2_1/c (14) | ✔ | 16 | 112 | 1 | 1.283 | 1.441 | 0.000 | (0;000) | ✗ | 02/02/17 |
CIF2 | COD | 7200677 | P2_1/c (14) | ✔ | 16 | 100 | 1 | 3.1528 | 3.212 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrBiS2F | ICSD | 250892 | P4/nmm (129) | ✔ | 10 | 88 | 1 | 0.4653 | 0.478 | 0.000 | (0;000) | ✗ | 02/02/17 |
PbC2(SN)2 | ICSD | 143 | C2/c (15) | ✔ | 14 | 88 | 1 | 2.2153 | 2.282 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2KScCl6 | ICSD | 59196 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 3.2291 | 3.229 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsHSO4 | ICSD | 24377 | P2_1/m (11) | ✔ | 14 | 80 | 1 | 5.8881 | 5.889 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3GeSe3 | ICSD | 47112 | C2/m (12) | ✔ | 14 | 98 | 1 | 1.988 | 2.044 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbGeI3 | ICSD | 40216 | Pm-3m (221) | ✔ | 5 | 34 | 3 | 0.349 | 0.349 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hg2SeO4 | COD | 1527304 | P2/c (13) | ✔ | 14 | 108 | 3 | 0.3164 | 0.640 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pd(PbCl3)2 | ICSD | 78873 | P2_1/c (14) | ✔ | 18 | 176 | 3 | 1.4312 | 1.530 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaPd(SeO3)2 | ICSD | 423571 | C2/c (15) | ✔ | 20 | 152 | 1 | 1.5909 | 1.856 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ag2PdCl4 | COD | 1509778 | Cmce (64) | ✔ | 14 | 136 | 3 | 1.1848 | 1.294 | 0.000 | (0;000) | ✗ | 30/01/17 |
Cs2KBiF6 | ICSD | 9383 | Fm-3m (225) | ✔ | 10 | 84 | 1 | 4.0251 | 4.138 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na(CO)2 | ICSD | 154355 | P2_1/c (14) | ✔ | 20 | 116 | 1 | 2.5928 | 2.593 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3BP2 | COD | 8103458 | C2/c (15) | ✔ | 12 | 80 | 1 | 1.6994 | 2.098 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca5P8 | ICSD | 74854 | C2/m (12) | ✔ | 13 | 90 | 1 | 1.1515 | 1.169 | 0.000 | (0;000) | ✗ | 02/02/17 |
AgBi(PS3)2 | ICSD | 170639 | P-1 (2) | ✔ | 20 | 144 | 3 | 0.8572 | 1.113 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ba2YGaSe5 | ICSD | 262882 | P-1 (2) | ✔ | 18 | 148 | 3 | 1.4878 | 1.895 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2NaBP2 | ICSD | 300133 | C2/m (12) | ✔ | 12 | 80 | 1 | 1.8181 | 1.907 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsI2Br | ICSD | 23120 | Pnma (62) | ✔ | 16 | 120 | 1 | 1.8017 | 1.820 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaHgCl3 | ICSD | 38302 | Pnma (62) | ✔ | 20 | 168 | 1 | 0.4532 | 0.453 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2TeBr6 | ICSD | 49522 | Fm-3m (225) | ✔ | 9 | 66 | 2 | 1.8651 | 2.124 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsAgO | COD | 1509282 | I4/mmm (139) | ✔ | 12 | 104 | 3 | 2.1312 | 2.143 | 0.000 | (0;000) | ✗ | 30/01/17 |
Na3YBr6 | ICSD | 82355 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 4.1906 | 4.214 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2NaVO4 | ICSD | 65963 | P2_1/m (11) | ✔ | 16 | 128 | 1 | 3.9489 | 4.047 | 0.000 | (0;000) | ✗ | 02/02/17 |
TiTlCuTe3 | ICSD | 81571 | P2_1/m (11) | ✔ | 12 | 108 | 3 | 0.0268 | 0.088 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2PtCl6 | COD | 1010239 | Fm-3m (225) | ✔ | 9 | 78 | 1 | 1.619 | 1.664 | 0.000 | (0;000) | ✗ | 02/02/17 |
BiOsSe | ICSD | 616892 | P2_1/c (14) | ✔ | 12 | 148 | 3 | 0.3781 | 0.641 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2LiAlH6 | ICSD | 245318 | R-3m (166) | ✔ | 20 | 60 | 1 | 2.586 | 2.909 | 0.000 | (0;000) | ✗ | 30/01/17 |
BaCSNCl | ICSD | 94400 | P2_1/m (11) | ✔ | 10 | 64 | 1 | 4.1497 | 4.249 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaBePO4F | ICSD | 200922 | P1 (1) | ✗ | 16 | 100 | 1 | 6.2132 | 6.473 | 0.000 | (0;000) | ✗ | 15/02/17 |