▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
PdI2 | ICSD | 23169 | Pnnm (58) | ✔ | 6 | 64 | 1 | 0.6718 | 0.969 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2PAuS4 | ICSD | 85680 | P2_1/m (11) | ✔ | 16 | 132 | 2 | 0.9005 | 0.970 | 0.000 | (0;000) | ✗ | 02/02/17 |
CoCuO2 | COD | 1008152 | R-3m (166) | ✔ | 4 | 40 | 3 | 0.695 | 0.971 | 0.000 | (0;000) | ✗ | 27/01/17 |
RuS2 | COD | 9016356 | Pa3 (205) | ✔ | 12 | 112 | 3 | 0.7339 | 0.971 | 0.000 | (0;000) | ✗ | 27/01/17 |
Nb3Sb2Te5 | ICSD | 417101 | I-43m (217) | ✗ | 20 | 158 | 3 | 0.7725 | 0.972 | 0.000 | (0;000) | ✗ | 29/03/17 |
Cs2Te2Pt | ICSD | 627076 | Immm (71) | ✔ | 5 | 40 | 1 | 0.7283 | 0.972 | 0.000 | (0;000) | ✗ | 02/02/17 |
Nb(SeBr)2 | COD | 4031460 | P-1 (2) | ✔ | 10 | 78 | 2 | 0.919 | 0.973 | 0.000 | (0;000) | ✗ | 02/02/17 |
Te2Mo | COD | 9009147 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.6746 | 0.974 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb3Ge4Au | COD | 1510175 | Pmmn (59) | ✔ | 16 | 108 | 3 | 0.8011 | 0.975 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2BrN | ICSD | 262056 | R-3m (166) | ✔ | 4 | 32 | 1 | 0.9748 | 0.975 | 0.000 | (0;000) | ✗ | 05/01/17 |
K2Sn2O3 | COD | 1527186 | R-3m (166) | ✔ | 7 | 64 | 2 | 0.9774 | 0.977 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsK2Sb | ICSD | 53237 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.9783 | 0.978 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb7NbAs4 | ICSD | 380111 | Pmn2_1 (31) | ✗ | 24 | 192 | 1 | 0.8901 | 0.979 | 0.000 | (0;000) | ✗ | 04/08/17 |
BaS3 | COD | 1010269 | P2_12_12 (18) | ✗ | 16 | 112 | 3 | 0.8913 | 0.979 | 0.000 | (0;000) | ✗ | 21/03/17 |
Bi2S3 | ICSD | 153946 | Pmnb (62) | ✔ | 20 | 112 | 2 | 0.9478 | 0.980 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sb2Os | COD | 9012562 | Pnnm (58) | ✔ | 6 | 52 | 3 | 0.3674 | 0.980 | 0.000 | (0;000) | ✗ | 27/01/17 |
P2Os | COD | 9012560 | Pnnm (58) | ✔ | 6 | 52 | 3 | 0.6977 | 0.981 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba4NaAuO8 | COD | 2002622 | I4/mmm (139) | ✔ | 14 | 108 | 1 | 0.863 | 0.981 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ca2ZnN2 | COD | 1005002 | I4/mmm (139) | ✔ | 5 | 42 | 1 | 0.7565 | 0.981 | 0.000 | (0;000) | ✗ | 27/01/17 |
PbO | ICSD | 99777 | P1 (1) | ✗ | 8 | 80 | 2 | 0.9824 | 0.982 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2PbO3 | ICSD | 22063 | Cmc2_1 (36) | ✗ | 12 | 100 | 1 | 0.9829 | 0.983 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca3VN3 | COD | 1005013 | Cmcm (63) | ✔ | 14 | 116 | 1 | 0.6765 | 0.984 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2Ni3S4 | ICSD | 63010 | P6_3/mmc (194) | ✔ | 18 | 144 | 1 | 0.8774 | 0.984 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rh2O3 | ICSD | 647369 | R-3c (167) | ✔ | 10 | 104 | 3 | 0.7851 | 0.985 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cd(InSe2)2 | ICSD | 620044 | I-42m (121) | ✗ | 7 | 62 | 3 | 0.9858 | 0.986 | 0.000 | (0;000) | ✗ | 15/02/17 |
Ca4Sb2O | COD | 7221475 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 0.7252 | 0.988 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca(ZnP)2 | COD | 7221217 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 0.8628 | 0.990 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sb2Os | ICSD | 42611 | Pmnn (58) | ✔ | 6 | 52 | 3 | 0.4307 | 0.991 | 0.000 | (0;000) | ✗ | 06/10/16 |
Pb4SeBr6 | ICSD | 21039 | Imm2 (44) | ✗ | 11 | 104 | 3 | 0.9075 | 0.993 | 0.000 | (0;000) | ✗ | 06/10/16 |
RbBa4Sb3O | ICSD | 415036 | I4/mcm (140) | ✔ | 18 | 140 | 1 | 0.8848 | 0.993 | 0.000 | (0;000) | ✗ | 02/02/17 |
KClO3 | ICSD | 9483 | R3m (160) | ✗ | 5 | 34 | 2 | 0.924 | 0.993 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaCN2 | ICSD | 75041 | R-3c (167) | ✔ | 24 | 144 | 1 | 0.723 | 0.994 | 0.000 | (0;000) | ✗ | 04/08/17 |
MgF2 | ICSD | 51242 | Cm2m (38) | ✗ | 3 | 24 | 1 | 0.86 | 0.994 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrLiAs | COD | 4335613 | Pnma (62) | ✔ | 12 | 72 | 1 | 0.996 | 0.996 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ta(ICl)2 | ICSD | 69688 | Immm (71) | ✔ | 10 | 82 | 1 | 0.9886 | 0.996 | 0.000 | (0;000) | ✗ | 02/02/17 |
AuCN | ICSD | 165173 | P6mm (183) | ✗ | 3 | 20 | 3 | 0.0 | 0.997 | 0.042 | (0;000) | ✔ | 06/10/16 |
TePIr | ICSD | 601289 | Pbca (61) | ✔ | 24 | 224 | 2 | 0.7269 | 0.998 | 0.000 | (0;000) | ✗ | 04/08/17 |
AuCN | ICSD | 85782 | P6mm (183) | ✗ | 3 | 20 | 3 | 0.0 | 0.999 | 0.053 | (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 |
Cs3Sb | ICSD | 53243 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.8638 | 0.999 | 0.000 | (0;000) | ✗ | 27/01/17 |
Hf3N4 | ICSD | 97997 | I-43d (220) | ✗ | 14 | 112 | 3 | 0.9972 | 0.999 | 0.000 | (0;000) | ✗ | 15/02/17 |
K2Sn2O3 | ICSD | 40463 | I2_13 (199) | ✗ | 14 | 128 | 3 | 0.9897 | 0.999 | 0.000 | (0;000) | ✗ | 29/03/17 |
P2Pd2O7 | ICSD | 415239 | C2/c (15) | ✔ | 22 | 176 | 3 | 0.9739 | 1.000 | 0.000 | (0;000) | ✗ | 07/08/17 |
Ta(TeBr3)2 | ICSD | 401905 | P-1 (2) | ✔ | 18 | 134 | 2 | 0.9582 | 1.001 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ag3SI | ICSD | 26450 | R3 (146) | ✗ | 5 | 46 | 3 | 0.4408 | 1.001 | 0.000 | (0;000) | ✔ | 28/11/16 |
AlCuTe2 | ICSD | 165742 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.002 | 1.002 | 0.000 | (0;000) | ✗ | 07/10/16 |
Na3AlAs2 | ICSD | 63149 | Ibam (72) | ✔ | 12 | 80 | 1 | 0.9112 | 1.002 | 0.000 | (0;000) | ✗ | 30/01/17 |
PbS | ICSD | 68701 | Cm2e (39) | ✗ | 4 | 40 | 2 | 1.0016 | 1.003 | 0.000 | (0;000) | ✗ | 06/10/16 |
Te6IrBr3 | ICSD | 423673 | R-3c (167) | ✔ | 20 | 148 | 3 | 0.729 | 1.004 | 0.000 | (0;000) | ✗ | 02/02/17 |
MgF2 | ICSD | 51243 | P-1 (2) | ✔ | 6 | 48 | 1 | 0.7823 | 1.004 | 0.000 | (0;000) | ✗ | 06/10/16 |