▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▴ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
K2P3 | ICSD | 33260 | Fddd (70) | ✔ | 20 | 132 | 1 | 1.0357 | 1.037 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdI2 | ICSD | 42209 | P3m1 (156) | ✗ | 15 | 130 | 1 | 1.9483 | 2.182 | 0.000 | (0;000) | ✗ | 22/03/17 |
CdI2 | ICSD | 42255 | P3m1 (156) | ✗ | 18 | 156 | 1 | 1.9404 | 2.159 | 0.000 | (0;000) | ✗ | 22/03/17 |
CdI2 | ICSD | 44795 | P3m1 (156) | ✗ | 18 | 156 | 1 | 1.991 | 2.171 | 0.000 | (0;000) | ✗ | 22/03/17 |
ClO3 | ICSD | 61334 | Cc (9) | ✗ | 16 | 100 | 1 | 1.0463 | 1.055 | 0.000 | (0;000) | ✗ | 22/03/17 |
CO | ICSD | 40937 | R3c (161) | ✗ | 16 | 80 | 1 | 5.0941 | 5.145 | 0.000 | (0;000) | ✗ | 22/03/17 |
IOF3 | ICSD | 4076 | P2_12_12_1 (19) | ✗ | 20 | 136 | 1 | 3.7853 | 3.792 | 0.000 | (0;000) | ✗ | 22/03/17 |
Sr3Sc2Cu2S2O5 | ICSD | 88425 | I4/mmm (139) | ✔ | 14 | 116 | 1 | 1.5845 | 1.585 | 0.000 | (0;000) | ✗ | 22/03/17 |
CuI | COD | 9013921 | R-3m (166) | ✔ | 4 | 36 | 3 | 0.01 | 0.010 | 0.000 | (1;000) | ✗ | 22/03/17 |
Rb2GeF6 | ICSD | 25662 | P6_3mc (186) | ✗ | 18 | 128 | 1 | 5.3917 | 5.392 | 0.000 | (0;000) | ✗ | 22/03/17 |
P4PtF12 | ICSD | 418726 | I-43m (217) | ✗ | 17 | 114 | 1 | 5.0854 | 5.098 | 0.000 | (0;000) | ✗ | 22/03/17 |
TeOF2 | COD | 1521091 | P2_1 (4) | ✗ | 16 | 104 | 3 | 3.8393 | 3.841 | 0.000 | (0;000) | ✗ | 22/03/17 |
K2GeF6 | ICSD | 30310 | P6_3mc (186) | ✗ | 18 | 128 | 1 | 6.296 | 6.296 | 0.000 | (0;000) | ✗ | 22/03/17 |
ZnCu2GeS4 | ICSD | 627793 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.677 | 0.677 | 0.000 | (0;000) | ✗ | 22/03/17 |
ZnCu2SiSe4 | ICSD | 629079 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.6565 | 0.657 | 0.000 | (0;000) | ✗ | 22/03/17 |
NaI(OF)2 | COD | 2016692 | Cmcm (63) | ✔ | 12 | 84 | 1 | 4.7043 | 4.786 | 0.000 | (0;000) | ✗ | 22/03/17 |
CsSnI3 | ICSD | 69996 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.219 | 0.219 | 0.000 | (0;000) | ✗ | 22/03/17 |
SeOF2 | COD | 4031233 | Pca2_1 (29) | ✗ | 16 | 104 | 1 | 4.1822 | 4.182 | 0.000 | (0;000) | ✗ | 22/03/17 |
TeF4 | ICSD | 85452 | P2_12_12_1 (19) | ✗ | 20 | 136 | 2 | 4.2126 | 4.283 | 0.000 | (0;000) | ✗ | 22/03/17 |
CsI | COD | 9008790 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 3.7608 | 3.761 | 0.000 | (0;000) | ✗ | 22/03/17 |
MgCu2GeS4 | ICSD | 425555 | Pmn2_1 (31) | ✗ | 16 | 120 | 3 | 1.0352 | 1.035 | 0.000 | (0;000) | ✗ | 22/03/17 |
CsSO3 | COD | 1530294 | P6_3mc (186) | ✗ | 20 | 132 | 1 | 5.8133 | 5.813 | 0.000 | (0;000) | ✗ | 22/03/17 |
Cu2SnHgS4 | ICSD | 627929 | I-42m (121) | ✗ | 8 | 72 | 3 | 0.0081 | 0.008 | 0.000 | (0;000) | ✔ | 22/03/17 |
Cs4KLiFe2F12 | ICSD | 78928 | R-3m (166) | ✔ | 20 | 148 | 1 | 0.0021 | 0.004 | 0.000 | (0;111) | ✗ | 22/03/17 |
ZnCu2SnS4 | ICSD | 185597 | Pmn2_1 (31) | ✗ | 16 | 144 | 3 | 0.6953 | 0.695 | 0.000 | (0;000) | ✗ | 22/03/17 |
CsH3O2 | COD | 2012559 | I4_1/amd (141) | ✔ | 12 | 48 | 3 | 4.5945 | 4.737 | 0.000 | (0;000) | ✗ | 22/03/17 |
ZnSi(CuTe2)2 | ICSD | 656150 | I-42m (121) | ✗ | 8 | 62 | 3 | 0.0426 | 0.052 | 0.000 | (0;000) | ✔ | 22/03/17 |
GaCuTe2 | ICSD | 74456 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.396 | 0.396 | 0.000 | (0;000) | ✔ | 22/03/17 |
CuI | ICSD | 30363 | P3m1 (156) | ✗ | 12 | 108 | 1 | 1.4688 | 1.469 | 0.000 | (0;000) | ✗ | 22/03/17 |
CsSiTe3 | ICSD | 61397 | Cc (9) | ✗ | 20 | 124 | 1 | 1.0584 | 1.058 | 0.000 | (0;000) | ✗ | 22/03/17 |
K2CuP | ICSD | 61082 | Cmcm (63) | ✔ | 8 | 68 | 1 | 1.118 | 1.194 | 0.000 | (0;000) | ✗ | 22/03/17 |
GeF2 | COD | 1528938 | P2_12_12_1 (19) | ✗ | 12 | 72 | 1 | 4.0428 | 4.319 | 0.000 | (0;000) | ✗ | 22/03/17 |
Hg3(SF)2 | COD | 1528807 | I2_13 (199) | ✗ | 14 | 124 | 3 | 1.9735 | 2.193 | 0.000 | (0;000) | ✗ | 22/03/17 |
PHF2 | ICSD | 406360 | P2_12_12_1 (19) | ✗ | 16 | 80 | 1 | 3.7561 | 3.781 | 0.000 | (0;000) | ✗ | 22/03/17 |
Cs3TaO8 | ICSD | 30408 | I-42m (121) | ✗ | 12 | 88 | 1 | 1.7678 | 1.807 | 0.000 | (0;000) | ✗ | 22/03/17 |
CsSb4F13 | COD | 5910189 | I4/m (87) | ✔ | 18 | 120 | 3 | 2.4393 | 2.443 | 0.000 | (0;000) | ✗ | 22/03/17 |
KTeHOF4 | ICSD | 155199 | P2_1 (4) | ✗ | 16 | 100 | 1 | 4.8867 | 5.105 | 0.000 | (0;000) | ✗ | 22/03/17 |
SeF4 | ICSD | 85451 | P2_12_12_1 (19) | ✗ | 20 | 136 | 1 | 4.7305 | 4.799 | 0.000 | (0;000) | ✗ | 22/03/17 |
TeH2NF5 | ICSD | 171449 | P2_1 (4) | ✗ | 18 | 96 | 1 | 3.0378 | 3.109 | 0.000 | (0;000) | ✗ | 22/03/17 |
Cs2Hg3S4 | COD | 4002165 | Ibam (72) | ✔ | 18 | 156 | 2 | 1.8841 | 1.884 | 0.000 | (0;000) | ✗ | 22/03/17 |
K2OsNCl5 | ICSD | 43729 | Cmc2_1 (36) | ✗ | 18 | 148 | 1 | 1.9726 | 1.973 | 0.000 | (0;000) | ✗ | 22/03/17 |
Cs2NbCuSe4 | ICSD | 84306 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.6663 | 2.025 | 0.000 | (0;000) | ✗ | 22/03/17 |
Pb(ClO3)2 | ICSD | 40286 | Fdd2 (43) | ✗ | 18 | 128 | 3 | 3.7072 | 3.713 | 0.000 | (0;000) | ✗ | 22/03/17 |
BaCa(CO3)2 | COD | 5910095 | P2_1 (4) | ✗ | 20 | 128 | 1 | 2.2809 | 2.293 | 0.000 | (0;000) | ✗ | 21/03/17 |
CsPbI3 | COD | 4335639 | Pnma (62) | ✔ | 20 | 176 | 2 | 1.8656 | 1.893 | 0.000 | (0;000) | ✗ | 22/03/17 |
Cs2LiVS4 | ICSD | 414186 | Fddd (70) | ✔ | 16 | 116 | 1 | 1.5915 | 1.592 | 0.000 | (0;000) | ✗ | 22/03/17 |
SiCu2HgS4 | ICSD | 627928 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.6297 | 0.630 | 0.000 | (0;000) | ✗ | 22/03/17 |
MgCu2SiSe4 | ICSD | 425556 | Pmn2_1 (31) | ✗ | 16 | 120 | 3 | 0.9391 | 0.939 | 0.000 | (0;000) | ✗ | 22/03/17 |
CsSnI3 | COD | 4117956 | Pnma (62) | ✔ | 20 | 176 | 2 | 1.8777 | 1.938 | 0.000 | (0;000) | ✗ | 22/03/17 |
ZnSi(CuS2)2 | ICSD | 628866 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 1.3074 | 1.308 | 0.000 | (0;000) | ✗ | 22/03/17 |