▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BaSO2 | COD | 1524206 | Pnma (62) | ✔ | 16 | 112 | 1 | 0.999 | 1.033 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlPAuSe3 | COD | 4000517 | C2/m (12) | ✔ | 12 | 94 | 1 | 0.8936 | 1.034 | 0.000 | (0;000) | ✗ | 02/02/17 |
TeAuBr8 | COD | 7209429 | P-1 (2) | ✔ | 20 | 146 | 2 | 1.0117 | 1.035 | 0.000 | (0;000) | ✗ | 30/01/17 |
GaCuS2 | ICSD | 156786 | I-42d (122) | ✗ | 8 | 72 | 3 | 1.0348 | 1.035 | 0.000 | (0;000) | ✗ | 07/10/16 |
Au2Se2O7 | COD | 7209412 | Pba2 (32) | ✗ | 22 | 152 | 2 | 1.0081 | 1.035 | 0.000 | (0;000) | ✗ | 07/08/17 |
MgCu2GeS4 | ICSD | 425555 | Pmn2_1 (31) | ✗ | 16 | 120 | 3 | 1.0352 | 1.035 | 0.000 | (0;000) | ✗ | 22/03/17 |
Cd(GaSe2)2 | ICSD | 2287 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.0358 | 1.036 | 0.000 | (0;000) | ✗ | 06/10/16 |
GaSe | ICSD | 73388 | R3m (160) | ✗ | 4 | 38 | 2 | 1.036 | 1.036 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr2ZnCu2(SO)2 | ICSD | 84735 | I4/mmm (139) | ✔ | 9 | 78 | 3 | 0.6692 | 1.036 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ga2HgSe4 | ICSD | 83712 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.0363 | 1.036 | 0.000 | (0;000) | ✗ | 06/10/16 |
CuH2C2BrN | COD | 7052608 | P-1 (2) | ✔ | 14 | 66 | 3 | 0.8149 | 1.037 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2P3 | ICSD | 33260 | Fddd (70) | ✔ | 20 | 132 | 1 | 1.0357 | 1.037 | 0.000 | (0;000) | ✗ | 02/02/17 |
As2Ir | ICSD | 42573 | P2_1/c (14) | ✔ | 12 | 76 | 3 | 0.9232 | 1.038 | 0.000 | (0;000) | ✗ | 06/10/16 |
CdO | COD | 9006677 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 1.039 | 0.074 | (0;000) | ✗ | 27/01/17 |
Te2Ru | ICSD | 106001 | Pmnn (58) | ✔ | 6 | 56 | 3 | 0.2399 | 1.040 | 0.000 | (0;000) | ✗ | 06/10/16 |
HfSnS3 | ICSD | 65667 | Pnma (62) | ✔ | 20 | 176 | 2 | 1.0307 | 1.041 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdBiSe2I | ICSD | 171727 | C2/m (12) | ✔ | 10 | 92 | 3 | 0.9676 | 1.041 | 0.000 | (0;000) | ✗ | 02/02/17 |
KBa4Sb3O | ICSD | 410747 | I4/mcm (140) | ✔ | 18 | 140 | 1 | 0.9969 | 1.041 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca2CrN3 | COD | 7012864 | P-1 (2) | ✔ | 12 | 98 | 1 | 0.9093 | 1.042 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrS3 | ICSD | 42073 | P2_1/m (11) | ✔ | 8 | 44 | 2 | 0.9911 | 1.042 | 0.000 | (0;000) | ✗ | 27/01/17 |
Y(AlC)3 | ICSD | 606289 | P6_3/mmc (194) | ✔ | 14 | 64 | 3 | 0.0 | 1.042 | 0.030 | (0;000) | ✗ | 27/01/17 |
Bi2SeO2 | ICSD | 411143 | I4/mmm (139) | ✔ | 5 | 48 | 3 | 0.2634 | 1.044 | 0.000 | (0;000) | ✗ | 05/01/17 |
BiSI | ICSD | 25575 | Pnma (62) | ✔ | 12 | 112 | 1 | 0.8593 | 1.045 | 0.000 | (0;000) | ✗ | 02/02/17 |
WN2 | ICSD | 290433 | P-6m2 (187) | ✗ | 3 | 24 | 3 | 0.8125 | 1.046 | 0.000 | (0;000) | ✗ | 06/10/16 |
TeAuI | COD | 1510182 | P2_1/c (14) | ✔ | 12 | 96 | 2 | 0.8628 | 1.046 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdPdF6 | ICSD | 26166 | R-3 (148) | ✔ | 8 | 72 | 3 | 1.0151 | 1.046 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2Pb2O3 | COD | 1527769 | I2_13 (199) | ✗ | 14 | 128 | 3 | 1.0401 | 1.048 | 0.000 | (0;000) | ✗ | 29/03/17 |
NaCoO2 | ICSD | 96428 | R-3m (166) | ✔ | 4 | 38 | 2 | 0.9734 | 1.050 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaPdF4 | ICSD | 32674 | I4/mcm (140) | ✔ | 12 | 112 | 1 | 1.0496 | 1.050 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiAuS | COD | 4319429 | Fddd (70) | ✔ | 12 | 80 | 3 | 1.05 | 1.050 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2Pd3Se4 | ICSD | 648726 | Fddd (70) | ✔ | 18 | 192 | 1 | 0.9443 | 1.050 | 0.000 | (0;000) | ✗ | 29/03/17 |
Bi2O3 | ICSD | 186365 | P-3m1 (164) | ✔ | 5 | 48 | 3 | 0.4261 | 1.051 | 0.000 | (0;000) | ✗ | 05/01/17 |
As2Ru | COD | 9012558 | Pnnm (58) | ✔ | 6 | 52 | 3 | 0.4005 | 1.052 | 0.000 | (0;000) | ✗ | 05/01/17 |
P2Pd3S8 | COD | 1527147 | P-3m1 (164) | ✔ | 13 | 112 | 3 | 1.0522 | 1.053 | 0.000 | (0;000) | ✗ | 02/02/17 |
CI | COD | 2212043 | P2_1/c (14) | ✔ | 24 | 132 | 1 | 0.9107 | 1.054 | 0.000 | (0;000) | ✗ | 04/08/17 |
POsSe | ICSD | 647716 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.762 | 1.054 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeP4 | ICSD | 2442 | C222_1 (20) | ✗ | 10 | 56 | 2 | 0.7978 | 1.055 | 0.000 | (0;000) | ✗ | 15/02/17 |
ClO3 | ICSD | 61334 | Cc (9) | ✗ | 16 | 100 | 1 | 1.0463 | 1.055 | 0.000 | (0;000) | ✗ | 22/03/17 |
Al2HgTe4 | ICSD | 25641 | I-4 (82) | ✗ | 7 | 42 | 3 | 1.0557 | 1.056 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr3P4 | ICSD | 38321 | Fdd2 (43) | ✗ | 14 | 100 | 1 | 0.8678 | 1.057 | 0.000 | (0;000) | ✗ | 29/03/17 |
H3I3N2 | ICSD | 27416 | P2_1/m (11) | ✔ | 16 | 68 | 3 | 0.8803 | 1.057 | 0.000 | (0;000) | ✗ | 02/02/17 |
RhF3 | COD | 2310599 | R-3c (167) | ✔ | 8 | 76 | 3 | 0.8988 | 1.057 | 0.000 | (0;000) | ✗ | 27/01/17 |
PICl6 | ICSD | 26594 | P-42_1m (113) | ✗ | 16 | 108 | 1 | 0.9841 | 1.058 | 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 |
BePo | ICSD | 58730 | F-43m (216) | ✗ | 2 | 20 | 3 | 0.8057 | 1.059 | 0.000 | (0;000) | ✗ | 06/10/16 |
Si | ICSD | 67775 | P6_3/mmc (194) | ✔ | 4 | 16 | 3 | 0.3357 | 1.061 | 0.000 | (0;000) | ✗ | 27/01/17 |
KAg2AsO4 | COD | 8100228 | I-42m (121) | ✗ | 8 | 60 | 3 | 0.2946 | 1.061 | 0.000 | (0;000) | ✔ | 16/03/17 |
K4HgP2 | ICSD | 67263 | R-3m (166) | ✔ | 7 | 58 | 1 | 1.021 | 1.064 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hg2IO | COD | 9015189 | C2/c (15) | ✔ | 16 | 148 | 3 | 0.9124 | 1.064 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca(CuS)2 | COD | 4001658 | P-3m1 (164) | ✔ | 5 | 44 | 2 | 1.0638 | 1.064 | 0.000 | (0;000) | ✗ | 27/01/17 |