▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▴ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ba2ZnS3 | COD | 4327809 | Pnma (62) | ✔ | 24 | 200 | 1 | 2.0228 | 2.023 | 0.000 | (0;000) | ✗ | 04/08/17 |
Cd3PCl3 | COD | 1001626 | P-3 (147) | ✔ | 14 | 124 | 3 | 2.0234 | 2.170 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaV(OF)2 | COD | 1000373 | P2_1 (4) | ✗ | 12 | 96 | 1 | 2.0236 | 2.570 | 0.000 | (0;000) | ✗ | 15/02/17 |
BiN9 | COD | 4334925 | P-1 (2) | ✔ | 20 | 120 | 2 | 2.0245 | 2.090 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cd(GaS2)2 | ICSD | 31354 | I-4 (82) | ✗ | 7 | 62 | 3 | 2.0248 | 2.027 | 0.000 | (0;000) | ✗ | 06/10/16 |
BiBr3 | COD | 8103606 | C2/m (12) | ✔ | 8 | 72 | 2 | 2.0253 | 2.057 | 0.000 | (0;000) | ✗ | 02/02/17 |
BiBr3 | ICSD | 100294 | C2/m (12) | ✔ | 8 | 72 | 2 | 2.0254 | 2.057 | 0.000 | (0;000) | ✗ | 06/10/16 |
SiCl2 | ICSD | 85526 | P2_12_12_1 (19) | ✗ | 12 | 72 | 1 | 2.0261 | 2.091 | 0.000 | (0;000) | ✗ | 22/03/17 |
RbAu(SO4)2 | ICSD | 412095 | P-1 (2) | ✔ | 12 | 80 | 1 | 2.0264 | 2.159 | 0.000 | (0;000) | ✗ | 05/01/17 |
Rb2NbCuS4 | ICSD | 84304 | Fddd (70) | ✔ | 16 | 132 | 1 | 2.0266 | 2.249 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sb2PbO6 | COD | 1530091 | P-31m (162) | ✔ | 9 | 60 | 3 | 2.031 | 2.416 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cd(GaS2)2 | ICSD | 106362 | I-4 (82) | ✗ | 7 | 62 | 3 | 2.0324 | 2.034 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaTiO3 | COD | 1011211 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 2.033 | 2.432 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2SiSe4 | COD | 8102891 | C2/m (12) | ✔ | 14 | 92 | 1 | 2.0342 | 2.048 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2InBrO3 | ICSD | 81878 | P4/nmm (129) | ✔ | 14 | 116 | 2 | 2.0352 | 2.422 | 0.000 | (0;000) | ✗ | 02/02/17 |
AuBrF6 | COD | 1510611 | P2_1 (4) | ✗ | 16 | 120 | 1 | 2.0362 | 2.037 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ag2S2O7 | ICSD | 423166 | P-1 (2) | ✔ | 22 | 152 | 3 | 2.0364 | 2.313 | 0.000 | (0;000) | ✗ | 04/08/17 |
RbNa2AuO2 | ICSD | 411460 | Pnnm (58) | ✔ | 12 | 100 | 1 | 2.0377 | 2.050 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrSe | COD | 9008729 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 2.0378 | 2.617 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ag2MoO4 | COD | 7222296 | Fd-3m (227) | ✔ | 14 | 120 | 3 | 2.0383 | 2.038 | 0.000 | (0;000) | ✗ | 30/01/17 |
MgTe | ICSD | 159402 | F-43m (216) | ✗ | 2 | 16 | 3 | 2.0409 | 2.041 | 0.000 | (0;000) | ✗ | 06/10/16 |
RbBiO2 | ICSD | 407208 | C2/c (15) | ✔ | 8 | 72 | 1 | 2.0422 | 2.042 | 0.000 | (0;000) | ✗ | 05/01/17 |
CaTiO3 | ICSD | 162922 | I4/mcm (140) | ✔ | 10 | 80 | 3 | 2.0423 | 2.048 | 0.000 | (0;000) | ✗ | 27/01/17 |
PCl5 | ICSD | 76731 | C2/m (12) | ✔ | 18 | 120 | 1 | 2.0426 | 2.128 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na4Mo(NO)2 | ICSD | 73102 | P-1 (2) | ✔ | 18 | 144 | 1 | 2.0429 | 2.120 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca2RuH6 | ICSD | 656082 | Fm-3m (225) | ✔ | 9 | 42 | 2 | 2.043 | 2.043 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2KRhF6 | ICSD | 4056 | Fm-3m (225) | ✔ | 10 | 86 | 1 | 2.0433 | 2.043 | 0.000 | (0;000) | ✗ | 27/01/17 |
HgPb2(ClO)2 | ICSD | 74973 | C2/m (12) | ✔ | 7 | 66 | 2 | 2.0457 | 2.198 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba3MgNb2O9 | ICSD | 95406 | P-3m1 (164) | ✔ | 15 | 120 | 3 | 2.0458 | 2.122 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2TaBiO6 | ICSD | 154150 | Fm-3m (225) | ✔ | 10 | 84 | 3 | 2.0464 | 2.046 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba4Li(SbO4)3 | ICSD | 202200 | Im-3m (229) | ✔ | 20 | 130 | 3 | 2.0478 | 2.129 | 0.000 | (0;000) | ✗ | 02/02/17 |
YSeF | COD | 2106573 | P2_1/m (11) | ✔ | 24 | 192 | 3 | 2.0509 | 2.061 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na3N | ICSD | 165994 | Fm-3m (225) | ✔ | 4 | 32 | 3 | 2.0516 | 2.052 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiH | ICSD | 41478 | P-3m1 (164) | ✔ | 4 | 10 | 2 | 2.0532 | 2.092 | 0.000 | (0;000) | ✗ | 27/01/17 |
GaTeCl | COD | 7221395 | Pnnm (58) | ✔ | 12 | 104 | 2 | 2.0533 | 2.053 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2CuCl3 | ICSD | 150292 | Pnma (62) | ✔ | 24 | 200 | 1 | 2.0536 | 2.054 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na2O2 | COD | 9008988 | P-62m (189) | ✗ | 12 | 90 | 1 | 2.0545 | 2.447 | 0.000 | (0;000) | ✗ | 15/02/17 |
Hg2WO4 | ICSD | 90085 | C2/c (15) | ✔ | 14 | 152 | 3 | 2.0554 | 2.398 | 0.000 | (0;000) | ✗ | 11/04/17 |
CdInBr3 | ICSD | 79512 | Pnma (62) | ✔ | 20 | 184 | 2 | 2.0556 | 2.245 | 0.000 | (0;000) | ✗ | 02/02/17 |
MgTe | ICSD | 168348 | P6_3mc (186) | ✗ | 4 | 32 | 3 | 2.059 | 2.059 | 0.000 | (0;000) | ✗ | 06/10/16 |
KCuC2 | ICSD | 412038 | P4_2/mmc (131) | ✔ | 8 | 56 | 2 | 2.0604 | 2.060 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsAgBr2 | COD | 1509157 | Cmcm (63) | ✔ | 8 | 68 | 2 | 2.0615 | 2.492 | 0.000 | (0;000) | ✗ | 30/01/17 |
ZnS | ICSD | 108733 | F-43m (216) | ✗ | 2 | 18 | 3 | 2.0623 | 2.062 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsCaH3 | ICSD | 619213 | Pnma (62) | ✔ | 20 | 88 | 1 | 2.0624 | 2.062 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaTiO3 | ICSD | 73639 | C2mm (38) | ✗ | 5 | 40 | 3 | 2.0626 | 2.325 | 0.000 | (0;000) | ✗ | 06/10/16 |
NaPS3 | ICSD | 426906 | P2_1/m (11) | ✔ | 20 | 128 | 1 | 2.0626 | 2.123 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2Se | COD | 9009057 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 2.0628 | 2.195 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zn2NCl | ICSD | 425734 | Pna2_1 (33) | ✗ | 16 | 144 | 3 | 2.0638 | 2.072 | 0.000 | (0;000) | ✗ | 22/03/17 |
Cd(GaS2)2 | ICSD | 184995 | I-4 (82) | ✗ | 7 | 62 | 3 | 2.0642 | 2.066 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba4Na(BN2)3 | ICSD | 401210 | Im-3m (229) | ✔ | 14 | 88 | 1 | 2.0643 | 2.504 | 0.000 | (0;000) | ✗ | 02/02/17 |