▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BeO | ICSD | 601160 | P6_3mc (186) | ✗ | 4 | 20 | 1 | 7.4832 | 7.483 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrC2 | ICSD | 91051 | C2/c (15) | ✔ | 6 | 36 | 1 | 2.457 | 2.716 | 0.000 | (0;000) | ✗ | 06/10/16 |
AlPS4 | ICSD | 428185 | I222 (23) | ✗ | 6 | 32 | 1 | 2.5158 | 2.670 | 0.000 | (0;000) | ✗ | 06/10/16 |
CClF3 | ICSD | 49696 | Ccm2_1 (36) | ✗ | 10 | 64 | 1 | 6.6335 | 6.643 | 0.000 | (0;000) | ✗ | 06/10/16 |
O2 | ICSD | 92775 | Cmcm (63) | ✔ | 2 | 12 | 1 | 0.0 | 0.025 | 0.339 | (0;000) | ✗ | 27/01/17 |
TaTl3S4 | ICSD | 16571 | I-43m (217) | ✗ | 8 | 76 | 1 | 1.8689 | 2.059 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaLiAs | ICSD | 56445 | P-6m2 (187) | ✗ | 3 | 18 | 1 | 0.4512 | 0.451 | 0.000 | (0;000) | ✔ | 06/10/16 |
BiI | ICSD | 1558 | C2/m (12) | ✔ | 16 | 96 | 1 | 0.1374 | 0.153 | 0.000 | (0;000) | ✗ | 06/10/16 |
C3N4 | ICSD | 248430 | P-6 (174) | ✗ | 7 | 32 | 1 | 0.0 | 0.001 | 0.871 | (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 |
LiAsS2 | ICSD | 419061 | Cc (9) | ✗ | 8 | 40 | 1 | 1.0844 | 1.085 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiAsSe2 | ICSD | 248116 | Cc (9) | ✗ | 8 | 40 | 1 | 0.6983 | 0.797 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaCl2 | ICSD | 51238 | Pm2_1n (31) | ✗ | 6 | 48 | 1 | 0.051 | 0.084 | 0.000 | (0;000) | ✔ | 06/10/16 |
NaSrAs | ICSD | 402448 | P-62m (189) | ✗ | 9 | 72 | 1 | 0.8323 | 0.832 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaF2 | ICSD | 51239 | Pmc2_1 (26) | ✗ | 6 | 48 | 1 | 6.5997 | 6.813 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaSb2 | ICSD | 409517 | P2_1/m (11) | ✔ | 6 | 40 | 1 | 0.0 | 0.056 | 0.102 | (0;001) | ✔ | 04/10/16 |
CaSe | ICSD | 167834 | F-43m (216) | ✗ | 2 | 16 | 1 | 3.0584 | 3.136 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiBeB | ICSD | 191998 | P3m1 (156) | ✗ | 12 | 40 | 1 | 0.2863 | 0.631 | 0.000 | (0;000) | ✔ | 06/10/16 |
Ca2Sb | ICSD | 154 | I4mm (107) | ✗ | 6 | 50 | 1 | 0.0 | 0.091 | 0.055 | (0;000) | ✔ | 06/10/16 |
BPS4 | ICSD | 24618 | I222 (23) | ✗ | 6 | 32 | 1 | 1.1178 | 1.383 | 0.000 | (0;000) | ✗ | 06/10/16 |
KSnSe2 | ICSD | 153907 | I4cm (108) | ✗ | 8 | 70 | 1 | 0.0 | 0.000 | 0.296 | (1;111) | ✔ | 07/10/16 |
K3NbO8 | ICSD | 30405 | I-42m (121) | ✗ | 12 | 88 | 1 | 1.5824 | 1.656 | 0.000 | (0;000) | ✗ | 07/10/16 |
CS2 | ICSD | 15672 | Cmce (64) | ✔ | 6 | 32 | 1 | 0.3788 | 0.877 | 0.000 | (0;000) | ✗ | 06/10/16 |
BNCl2 | ICSD | 28168 | R3 (146) | ✗ | 12 | 66 | 1 | 2.288 | 2.326 | 0.000 | (0;000) | ✗ | 06/10/16 |
C(ClF)2 | ICSD | 33946 | F2dd (43) | ✗ | 10 | 64 | 1 | 5.5318 | 5.537 | 0.000 | (0;000) | ✗ | 06/10/16 |
OsO4 | ICSD | 24672 | C2 (5) | ✗ | 5 | 40 | 1 | 4.2187 | 4.251 | 0.000 | (0;000) | ✗ | 06/10/16 |
GeF4 | ICSD | 202558 | I-43m (217) | ✗ | 5 | 32 | 1 | 6.2961 | 6.758 | 0.000 | (0;000) | ✗ | 06/10/16 |
BeF2 | ICSD | 9481 | P6_222 (180) | ✗ | 9 | 54 | 1 | 8.125 | 8.200 | 0.000 | (0;000) | ✗ | 06/10/16 |
Rb2Se3 | ICSD | 14093 | Ccm2_1 (36) | ✗ | 10 | 72 | 1 | 0.7189 | 0.828 | 0.000 | (0;000) | ✗ | 06/10/16 |
MgF2 | ICSD | 51242 | Cm2m (38) | ✗ | 3 | 24 | 1 | 0.86 | 0.994 | 0.000 | (0;000) | ✗ | 06/10/16 |
Be | COD | 9012017 | P6_3/mmc (194) | ✔ | 2 | 8 | 1 | 0.0 | 0.001 | 0.153 | (1;000) | ✗ | 05/01/17 |
BeSe | ICSD | 53934 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 0.0 | 2.642 | 0.027 | (0;000) | ✗ | 05/01/17 |
CaN2 | ICSD | 423721 | I4/mmm (139) | ✔ | 3 | 20 | 1 | 0.0 | 0.006 | 0.578 | (0;000) | ✗ | 27/01/17 |
CaO2 | ICSD | 20275 | I4/mmm (139) | ✔ | 3 | 22 | 1 | 1.5999 | 1.600 | 0.000 | (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 |
LiCl | COD | 1011314 | Fm-3m (225) | ✔ | 2 | 10 | 1 | 6.2774 | 6.277 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiHF2 | ICSD | 23883 | R-3m (166) | ✔ | 4 | 18 | 1 | 8.2121 | 8.402 | 0.000 | (0;000) | ✗ | 27/01/17 |
KF | COD | 9008652 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 6.1456 | 6.146 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaLiP | ICSD | 56444 | P-6m2 (187) | ✗ | 3 | 18 | 1 | 0.6342 | 0.634 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaNiO3 | ICSD | 15761 | Ccm2_1 (36) | ✗ | 10 | 76 | 1 | 1.009 | 1.179 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaAgSeF | ICSD | 183714 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.2151 | 1.215 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaAgSF | ICSD | 183713 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.4697 | 1.470 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaMnO3 | ICSD | 24129 | Ccmm (63) | ✔ | 10 | 86 | 1 | 0.0 | 0.000 | 0.352 | (0;000) | ✗ | 06/10/16 |
BaMnO3 | ICSD | 23873 | Ccmm (63) | ✔ | 10 | 86 | 1 | 0.0 | 0.000 | 0.352 | (0;000) | ✗ | 06/10/16 |
BaMnO3 | ICSD | 89995 | Cmc2_1 (36) | ✗ | 10 | 86 | 1 | 0.0 | 0.000 | 0.358 | ? | ✗ | 06/10/16 |
BaMnO3 | ICSD | 89996 | Ccm2_1 (36) | ✗ | 10 | 86 | 1 | 0.0 | 0.000 | 0.355 | (1;100) | ✔ | 05/12/16 |
BaSb3 | ICSD | 49000 | C2/m (12) | ✔ | 8 | 50 | 1 | 0.0 | 0.104 | 0.361 | (1;001) | ✔ | 02/02/17 |
RbSb | ICSD | 191491 | F-43m (216) | ✗ | 2 | 14 | 1 | 0.0 | 0.000 | 0.134 | (0;000) | ✔ | 06/10/16 |
RbSb2 | ICSD | 419402 | C2/m (12) | ✔ | 6 | 38 | 1 | 0.3062 | 0.713 | 0.000 | (0;000) | ✔ | 02/02/17 |
AsI3 | ICSD | 23003 | R-3 (148) | ✔ | 8 | 52 | 1 | 1.9506 | 2.019 | 0.000 | (0;000) | ✗ | 06/10/16 |