▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CsPbBr3 | ICSD | 28312 | Pnma (62) | ✔ | 20 | 176 | 2 | 2.4002 | 2.502 | 0.000 | (0;000) | ✗ | 02/02/17 |
MgInBr3 | ICSD | 402533 | Pnma (62) | ✔ | 20 | 176 | 3 | 1.8247 | 2.328 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaFe2Se3 | COD | 1504314 | Pnma (62) | ✔ | 24 | 176 | 1 | 0.0 | 0.003 | 0.354 | (1;000) | ✗ | 04/08/17 |
ZnAs2 | ICSD | 2021 | P2_1/c (14) | ✔ | 24 | 176 | 3 | 0.2561 | 0.256 | 0.000 | (0;000) | ✗ | 04/08/17 |
In2Pd8Se | ICSD | 290932 | P4/mmm (123) | ✔ | 11 | 176 | 3 | 0.0 | 0.005 | 0.482 | (1;111) | ✗ | 27/01/17 |
Tl2Au4S3 | COD | 7109280 | Pmmn (59) | ✔ | 18 | 176 | 3 | 0.7914 | 0.791 | 0.000 | (0;000) | ✗ | 21/03/17 |
BiAsO4 | COD | 9011234 | P2_1/c (14) | ✔ | 24 | 176 | 3 | 3.0064 | 3.123 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ti3In4 | ICSD | 59553 | P4/mbm (127) | ✔ | 14 | 176 | 3 | 0.0 | 0.001 | 0.381 | (1;000) | ✗ | 02/02/17 |
TiAs2 | ICSD | 611500 | Pnnm (58) | ✔ | 24 | 176 | 3 | 0.0 | 0.017 | 0.183 | (0;000) | ✗ | 04/08/17 |
Ba(ZnSb)2 | ICSD | 32020 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.0 | 0.015 | 0.060 | (0;000) | ✗ | 02/02/17 |
ZnHg3(SCl2)2 | ICSD | 420783 | P6_3mc (186) | ✗ | 20 | 176 | 2 | 0.0 | 0.095 | 0.073 | (0;000) | ✔ | 11/04/17 |
Rb2PbO2 | ICSD | 2267 | P-1 (2) | ✔ | 20 | 176 | 3 | 0.0923 | 0.200 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbCrI3 | COD | 1528243 | C2 (5) | ✗ | 20 | 176 | 2 | 0.0 | 0.001 | 0.604 | ? | ✗ | 22/03/17 |
Re2W | ICSD | 650203 | P6_3/mmc (194) | ✔ | 12 | 176 | 3 | 0.0 | 0.007 | 1.000 | (0;000) | ✗ | 02/02/17 |
CsCrI3 | ICSD | 23382 | Pbcn (60) | ✔ | 20 | 176 | 1 | 0.0 | 0.008 | 0.457 | (0;000) | ✗ | 22/03/17 |
RbCdAuS2 | ICSD | 85582 | Pcca (54) | ✔ | 20 | 176 | 2 | 1.9477 | 2.222 | 0.000 | (0;000) | ✗ | 21/03/17 |
Sr2CoReO6 | ICSD | 173491 | P2_1/c (14) | ✔ | 20 | 176 | 3 | 0.0 | 0.035 | 0.475 | (0;000) | ✗ | 02/02/17 |
RbCuSe4 | ICSD | 404225 | P2_12_12_1 (19) | ✗ | 24 | 176 | 1 | 1.0816 | 1.103 | 0.000 | (0;000) | ✗ | 04/08/17 |
Y4OsBr4 | ICSD | 71513 | C2/c (15) | ✔ | 18 | 176 | 3 | 0.5556 | 0.589 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbSbF10 | COD | 4031238 | P-1 (2) | ✔ | 24 | 176 | 1 | 4.8912 | 4.896 | 0.000 | (0;000) | ✗ | 04/08/17 |
CaPd3O4 | COD | 1008075 | Pm-3n (223) | ✔ | 16 | 176 | 3 | 0.0 | 0.004 | 0.120 | (0;000) | ✗ | 27/01/17 |
In2O3 | ICSD | 181835 | Pnma (62) | ✔ | 20 | 176 | 3 | 1.4566 | 1.721 | 0.000 | (0;000) | ✗ | 27/01/17 |
InBF4 | COD | 1511123 | Pnma (62) | ✔ | 24 | 176 | 1 | 4.5108 | 4.575 | 0.000 | (0;000) | ✗ | 04/08/17 |
CdP2 | COD | 1528584 | P4_32_12 (96) | ✗ | 24 | 176 | 3 | 1.1046 | 1.251 | 0.000 | (0;000) | ✗ | 04/08/17 |
CuCl3O2 | COD | 2310504 | P2_1/c (14) | ✔ | 24 | 176 | 1 | 0.006 | 0.082 | 1.000 | (0;000) | ✗ | 04/08/17 |
LiGaCl4 | ICSD | 60849 | P2_1/c (14) | ✔ | 24 | 176 | 1 | 4.6362 | 4.636 | 0.000 | (0;000) | ✗ | 04/08/17 |
KICl4 | COD | 1010442 | P2_1/c (14) | ✔ | 24 | 176 | 1 | 1.8961 | 1.910 | 0.000 | (0;000) | ✗ | 04/08/17 |
Rb6Cl4O | ICSD | 405193 | R-3c (167) | ✔ | 22 | 176 | 1 | 1.7803 | 1.780 | 0.000 | (0;000) | ✗ | 04/08/17 |
CuClF10 | COD | 1529596 | P2_1/c (14) | ✔ | 24 | 176 | 2 | 0.0 | 0.002 | 0.108 | (0;000) | ✗ | 04/08/17 |
CuClF10 | ICSD | 35387 | P2_1/c (14) | ✔ | 24 | 176 | 2 | 0.0 | 0.001 | 0.267 | (1;001) | ✗ | 04/08/17 |
Ni(AuF4)2 | COD | 1510404 | P2_1/c (14) | ✔ | 22 | 176 | 3 | 0.0 | 0.022 | 0.147 | (0;000) | ✗ | 04/08/17 |
Mg(AuF4)2 | COD | 1510402 | P2_1/c (14) | ✔ | 22 | 176 | 3 | 2.1334 | 2.147 | 0.000 | (0;000) | ✗ | 04/08/17 |
RbSnI3 | ICSD | 400934 | Pnma (62) | ✔ | 20 | 176 | 2 | 1.8086 | 1.882 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbPbI3 | ICSD | 161482 | Pnma (62) | ✔ | 20 | 176 | 2 | 1.8148 | 1.861 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsSnCl3 | COD | 1527954 | P2_1/c (14) | ✔ | 20 | 176 | 1 | 2.8109 | 2.811 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiInF4 | COD | 2000863 | Pbcn (60) | ✔ | 24 | 176 | 2 | 4.4823 | 4.482 | 0.000 | (0;000) | ✗ | 04/08/17 |
Rb2SnO2 | ICSD | 24805 | P2_12_12_1 (19) | ✗ | 20 | 176 | 1 | 2.1572 | 2.226 | 0.000 | (0;000) | ✗ | 29/03/17 |
Cd4GeS6 | COD | 2003996 | Cc (9) | ✗ | 22 | 176 | 3 | 1.4332 | 1.433 | 0.000 | (0;000) | ✗ | 07/08/17 |
SnSO4 | ICSD | 245906 | P-1 (2) | ✔ | 24 | 176 | 3 | 1.3394 | 1.555 | 0.000 | (0;000) | ✗ | 04/08/17 |
Cs3TiF7 | COD | 1531503 | P4/mbm (127) | ✔ | 22 | 176 | 1 | 2.7718 | 2.772 | 0.000 | (0;000) | ✗ | 07/08/17 |
LiInI4 | ICSD | 36599 | P2_1/c (14) | ✔ | 24 | 176 | 1 | 2.0709 | 2.071 | 0.000 | (0;000) | ✗ | 04/08/17 |
Sr4I6O | COD | 2200256 | P6_3mc (186) | ✗ | 22 | 176 | 1 | 3.1042 | 3.104 | 0.000 | (0;000) | ✗ | 07/08/17 |
LiGaI4 | ICSD | 60850 | P2_1/c (14) | ✔ | 24 | 176 | 1 | 2.3064 | 2.339 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba(AuF4)2 | COD | 1510360 | I-4 (82) | ✗ | 22 | 176 | 1 | 2.4753 | 2.477 | 0.000 | (0;000) | ✗ | 07/08/17 |
Ca2Ta2O7 | COD | 9009944 | Fd-3m (227) | ✔ | 22 | 176 | 3 | 1.9414 | 1.941 | 0.000 | (0;000) | ✗ | 07/08/17 |
Y3TaO7 | COD | 1525169 | C222_1 (20) | ✗ | 22 | 176 | 3 | 2.5659 | 2.566 | 0.000 | (0;000) | ✗ | 07/08/17 |
Cd4SiSe6 | COD | 1532045 | Cc (9) | ✗ | 22 | 176 | 3 | 0.8423 | 0.843 | 0.000 | (0;000) | ✗ | 07/08/17 |
Rb3V5O14 | COD | 4316137 | P31m (157) | ✗ | 22 | 176 | 1 | 2.1177 | 2.207 | 0.000 | (0;000) | ✗ | 04/08/17 |
Rb6Br4O | ICSD | 411955 | R-3c (167) | ✔ | 22 | 176 | 1 | 1.6305 | 1.631 | 0.000 | (0;000) | ✗ | 07/08/17 |
PbSO4 | COD | 9004484 | Pnma (62) | ✔ | 24 | 176 | 3 | 3.6491 | 3.860 | 0.000 | (0;000) | ✗ | 04/08/17 |