▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▴ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cs2Sn(AuS2)2 | ICSD | 408685 | Fddd (70) | ✔ | 18 | 156 | 1 | 1.9636 | 2.036 | 0.000 | (0;000) | ✗ | 12/04/17 |
AuBrF6 | COD | 1510611 | P2_1 (4) | ✗ | 16 | 120 | 1 | 2.0362 | 2.037 | 0.000 | (0;000) | ✗ | 21/03/17 |
TaCu3S4 | ICSD | 628903 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.7472 | 2.038 | 0.000 | (0;000) | ✗ | 06/10/16 |
NbCu3S4 | ICSD | 628471 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.6107 | 2.038 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ag2MoO4 | COD | 7222296 | Fd-3m (227) | ✔ | 14 | 120 | 3 | 2.0383 | 2.038 | 0.000 | (0;000) | ✗ | 30/01/17 |
TaAgO3 | ICSD | 40830 | R3c (161) | ✗ | 10 | 84 | 3 | 2.0218 | 2.039 | 0.000 | (0;000) | ✗ | 06/10/16 |
TaCu3S4 | ICSD | 628897 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.7484 | 2.039 | 0.000 | (0;000) | ✗ | 06/10/16 |
PbO | ICSD | 15402 | Pmab (57) | ✔ | 8 | 80 | 2 | 1.8544 | 2.040 | 0.000 | (0;000) | ✗ | 06/10/16 |
PbO | COD | 2310433 | Pbcm (57) | ✔ | 8 | 80 | 2 | 1.8544 | 2.040 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgTe | ICSD | 159402 | F-43m (216) | ✗ | 2 | 16 | 3 | 2.0409 | 2.041 | 0.000 | (0;000) | ✗ | 06/10/16 |
V2O5 | COD | 9012221 | Pmmn (59) | ✔ | 14 | 112 | 2 | 1.7969 | 2.041 | 0.000 | (0;000) | ✗ | 07/08/17 |
RbBiO2 | ICSD | 407208 | C2/c (15) | ✔ | 8 | 72 | 1 | 2.0422 | 2.042 | 0.000 | (0;000) | ✗ | 05/01/17 |
KCBr(NO2)2 | ICSD | 42826 | P-1 (2) | ✔ | 18 | 108 | 1 | 1.9756 | 2.042 | 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 |
NbCu3S4 | ICSD | 183994 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.6153 | 2.044 | 0.000 | (0;000) | ✗ | 06/10/16 |
Hg3(SeCl)2 | ICSD | 27400 | I2_13 (199) | ✗ | 14 | 124 | 3 | 2.016 | 2.044 | 0.000 | (0;000) | ✗ | 22/03/17 |
K3GeSe3 | ICSD | 47112 | C2/m (12) | ✔ | 14 | 98 | 1 | 1.988 | 2.044 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsReF8 | ICSD | 410829 | P4/nmm (129) | ✔ | 20 | 160 | 1 | 2.0109 | 2.046 | 0.000 | (0;000) | ✗ | 02/02/17 |
CrCdO4 | COD | 1008085 | C2/m (12) | ✔ | 24 | 200 | 3 | 1.9739 | 2.046 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba2TaBiO6 | ICSD | 154150 | Fm-3m (225) | ✔ | 10 | 84 | 3 | 2.0464 | 2.046 | 0.000 | (0;000) | ✗ | 05/01/17 |
Hg3(TeCl)2 | ICSD | 27401 | I2_13 (199) | ✗ | 14 | 124 | 3 | 2.0054 | 2.047 | 0.000 | (0;000) | ✗ | 22/03/17 |
BaTiO3 | ICSD | 186460 | C2mm (38) | ✗ | 5 | 40 | 3 | 1.9349 | 2.048 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaTiO3 | ICSD | 162922 | I4/mcm (140) | ✔ | 10 | 80 | 3 | 2.0423 | 2.048 | 0.000 | (0;000) | ✗ | 27/01/17 |
PbICl | ICSD | 22137 | Pnma (62) | ✔ | 12 | 112 | 1 | 1.9909 | 2.048 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2SiSe4 | COD | 8102891 | C2/m (12) | ✔ | 14 | 92 | 1 | 2.0342 | 2.048 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbI3 | ICSD | 30906 | P2_1/c (14) | ✔ | 16 | 104 | 1 | 2.0113 | 2.049 | 0.000 | (0;000) | ✗ | 02/02/17 |
SCl2 | ICSD | 38351 | P2_12_12_1 (19) | ✗ | 24 | 160 | 1 | 2.017 | 2.049 | 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 |
RbCuC2 | ICSD | 391118 | P4/mmm (123) | ✔ | 4 | 28 | 1 | 1.9709 | 2.051 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na3N | ICSD | 165994 | Fm-3m (225) | ✔ | 4 | 32 | 3 | 2.0516 | 2.052 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2MgSi | ICSD | 181255 | F-43m (216) | ✗ | 4 | 20 | 3 | 0.1016 | 2.053 | 0.000 | (0;000) | ✔ | 06/10/16 |
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 |
AlAs | ICSD | 185081 | F-43m (216) | ✗ | 2 | 8 | 3 | 1.3082 | 2.054 | 0.000 | (0;000) | ✗ | 06/10/16 |
TaTl3S4 | ICSD | 651107 | I-43m (217) | ✗ | 8 | 76 | 1 | 1.8644 | 2.054 | 0.000 | (0;000) | ✗ | 06/10/16 |
K4CO4 | ICSD | 245427 | R3 (146) | ✗ | 9 | 64 | 3 | 1.8687 | 2.055 | 0.000 | (0;000) | ✗ | 06/10/16 |
CSe2 | ICSD | 60374 | Cmce (64) | ✔ | 6 | 32 | 1 | 1.8396 | 2.057 | 0.000 | (0;000) | ✗ | 27/01/17 |
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 |
TaTl3S4 | ICSD | 600247 | I-43m (217) | ✗ | 8 | 76 | 1 | 1.8678 | 2.058 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2Te | COD | 9009058 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 1.9966 | 2.058 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgTe | ICSD | 168348 | P6_3mc (186) | ✗ | 4 | 32 | 3 | 2.059 | 2.059 | 0.000 | (0;000) | ✗ | 06/10/16 |
TaTl3S4 | ICSD | 16571 | I-43m (217) | ✗ | 8 | 76 | 1 | 1.8689 | 2.059 | 0.000 | (0;000) | ✗ | 06/10/16 |
RbAuS | COD | 1510281 | Cmcm (63) | ✔ | 6 | 52 | 1 | 1.8414 | 2.060 | 0.000 | (0;000) | ✗ | 05/01/17 |
KCuC2 | ICSD | 412038 | P4_2/mmc (131) | ✔ | 8 | 56 | 2 | 2.0604 | 2.060 | 0.000 | (0;000) | ✗ | 27/01/17 |
YSeF | COD | 2106573 | P2_1/m (11) | ✔ | 24 | 192 | 3 | 2.0509 | 2.061 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaS2 | ICSD | 644957 | I-42d (122) | ✗ | 24 | 168 | 1 | 1.9964 | 2.061 | 0.000 | (0;000) | ✗ | 04/08/17 |
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 |
K2TaCuSe4 | ICSD | 72427 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.9765 | 2.063 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li2ZrTeO6 | COD | 1001503 | R3 (146) | ✗ | 10 | 52 | 3 | 1.7277 | 2.063 | 0.000 | (0;000) | ✗ | 15/02/17 |
K2Hg3(GeS4)2 | ICSD | 281506 | C2 (5) | ✗ | 15 | 110 | 3 | 1.5376 | 2.063 | 0.000 | (0;000) | ✗ | 22/03/17 |
KAuC2 | ICSD | 411255 | P4/mmm (123) | ✔ | 4 | 28 | 1 | 1.8204 | 2.063 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaAuO2 | COD | 8101055 | Cmcm (63) | ✔ | 8 | 64 | 0 | 1.5095 | 2.066 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cd(GaS2)2 | ICSD | 184995 | I-4 (82) | ✗ | 7 | 62 | 3 | 2.0642 | 2.066 | 0.000 | (0;000) | ✗ | 06/10/16 |
RbCuC2 | ICSD | 412039 | P4_2/mmc (131) | ✔ | 8 | 56 | 2 | 2.067 | 2.067 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na5InS4 | ICSD | 300175 | P2_1/m (11) | ✔ | 20 | 164 | 1 | 2.067 | 2.067 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na4Br2O | ICSD | 67283 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 2.068 | 2.068 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba3SrTa2O9 | ICSD | 27496 | P-3m1 (164) | ✔ | 15 | 120 | 3 | 2.018 | 2.069 | 0.000 | (0;000) | ✗ | 02/02/17 |
KRb2RhF6 | ICSD | 27339 | Fm-3m (225) | ✔ | 10 | 86 | 3 | 2.069 | 2.069 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiInI4 | ICSD | 36599 | P2_1/c (14) | ✔ | 24 | 176 | 1 | 2.0709 | 2.071 | 0.000 | (0;000) | ✗ | 04/08/17 |
Li3Sb | COD | 1011380 | Fm-3m (225) | ✔ | 4 | 14 | 1 | 0.4978 | 2.071 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2NiF6 | ICSD | 44789 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 1.9892 | 2.072 | 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 |
KAgF4 | COD | 1509325 | I4/mcm (140) | ✔ | 12 | 96 | 1 | 2.0219 | 2.072 | 0.000 | (0;000) | ✗ | 05/01/17 |
NbCu3S4 | ICSD | 628472 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.6338 | 2.075 | 0.000 | (0;000) | ✗ | 06/10/16 |
Na3BP2 | COD | 8103467 | P2_1/c (14) | ✔ | 24 | 160 | 1 | 1.861 | 2.075 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsNaTe | ICSD | 405538 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 1.9586 | 2.076 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs3ClO | ICSD | 401664 | Pnma (62) | ✔ | 20 | 160 | 2 | 2.0723 | 2.076 | 0.000 | (0;000) | ✗ | 22/03/17 |
Na4SnO3 | ICSD | 49624 | Cc (9) | ✗ | 16 | 136 | 1 | 1.9151 | 2.076 | 0.000 | (0;000) | ✗ | 29/03/17 |
ZnS | ICSD | 15740 | P3m1 (156) | ✗ | 20 | 180 | 3 | 2.0771 | 2.077 | 0.000 | (0;000) | ✗ | 29/03/17 |
NbCu3S4 | ICSD | 628466 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.635 | 2.077 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cs2Se | ICSD | 627099 | Pnma (62) | ✔ | 12 | 96 | 1 | 2.0773 | 2.077 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrS2 | ICSD | 642 | I4/mcm (140) | ✔ | 6 | 44 | 1 | 1.3022 | 2.079 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScCuO2 | ICSD | 65547 | R-3m (166) | ✔ | 4 | 34 | 3 | 2.0799 | 2.080 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZnS | ICSD | 107133 | P3m1 (156) | ✗ | 16 | 144 | 3 | 2.0809 | 2.081 | 0.000 | (0;000) | ✗ | 29/03/17 |
K2TiCl6 | ICSD | 26934 | Fm-3m (225) | ✔ | 9 | 72 | 1 | 2.069 | 2.082 | 0.000 | (0;000) | ✗ | 02/02/17 |
SbCl(OF3)2 | COD | 4305990 | P2/c (13) | ✔ | 20 | 132 | 1 | 2.0676 | 2.082 | 0.000 | (0;000) | ✗ | 02/02/17 |
Al2CdSe4 | ICSD | 174192 | I-4 (82) | ✗ | 7 | 42 | 3 | 2.0835 | 2.084 | 0.000 | (0;000) | ✗ | 06/10/16 |
NbCu3S4 | ICSD | 170784 | P-43m (215) | ✗ | 8 | 70 | 3 | 1.6403 | 2.085 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsBa2Nb3O10 | ICSD | 93676 | P4/mmm (123) | ✔ | 16 | 128 | 2 | 1.7309 | 2.086 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2O | COD | 9009127 | R-3m (166) | ✔ | 3 | 24 | 2 | 1.3737 | 2.086 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgPSe3 | ICSD | 642731 | R-3 (148) | ✔ | 10 | 66 | 2 | 2.0858 | 2.086 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2S | COD | 2104952 | Pnma (62) | ✔ | 12 | 96 | 1 | 2.0772 | 2.086 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZnS | COD | 9000085 | P6_3mc (186) | ✗ | 20 | 180 | 3 | 2.0884 | 2.088 | 0.000 | (0;000) | ✗ | 29/03/17 |
K2PdF4 | ICSD | 33888 | C2/m (12) | ✔ | 7 | 64 | 1 | 2.0078 | 2.089 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaMg2N2 | ICSD | 79123 | P-3m1 (164) | ✔ | 5 | 40 | 2 | 2.0892 | 2.089 | 0.000 | (0;000) | ✗ | 27/01/17 |
BiN9 | COD | 4334925 | P-1 (2) | ✔ | 20 | 120 | 2 | 2.0245 | 2.090 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li5ReN4 | ICSD | 92467 | Pmmn (59) | ✔ | 20 | 100 | 1 | 2.0104 | 2.091 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiCl2 | ICSD | 85526 | P2_12_12_1 (19) | ✗ | 12 | 72 | 1 | 2.0261 | 2.091 | 0.000 | (0;000) | ✗ | 22/03/17 |
SiH | ICSD | 41478 | P-3m1 (164) | ✔ | 4 | 10 | 2 | 2.0532 | 2.092 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsYZnSe3 | COD | 4317677 | Cmcm (63) | ✔ | 12 | 100 | 1 | 2.0743 | 2.093 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsAu2F7 | ICSD | 152057 | C2/c (15) | ✔ | 20 | 160 | 1 | 2.0658 | 2.094 | 0.000 | (0;000) | ✗ | 21/03/17 |
RbGeI3 | ICSD | 85041 | P2_12_12_1 (19) | ✗ | 20 | 136 | 2 | 1.9977 | 2.094 | 0.000 | (0;000) | ✗ | 22/03/17 |
NaAg(NO2)2 | ICSD | 20926 | F222 (22) | ✗ | 16 | 108 | 3 | 2.0809 | 2.096 | 0.000 | (0;000) | ✗ | 16/03/17 |
Sb2O3 | COD | 9009748 | Pccn (56) | ✔ | 20 | 112 | 3 | 0.0 | 2.096 | 1.000 | (0;000) | ✗ | 02/02/17 |
HgSO4 | ICSD | 25773 | Pn2_1m (31) | ✗ | 12 | 84 | 3 | 1.51 | 2.097 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba2MgTeO6 | ICSD | 191563 | Fm-3m (225) | ✔ | 10 | 72 | 3 | 2.0974 | 2.097 | 0.000 | (0;000) | ✗ | 05/01/17 |
Li2CdSnS4 | COD | 4302974 | Pmn2_1 (31) | ✗ | 16 | 112 | 2 | 2.0977 | 2.098 | 0.000 | (0;000) | ✗ | 22/03/17 |