▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ca2MgWO6 | COD | 2013469 | P2_1/c (14) | ✔ | 20 | 160 | 3 | 3.4238 | 3.484 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca2MnWO6 | ICSD | 51615 | P2_1/c (14) | ✔ | 20 | 170 | 3 | 0.0 | 0.000 | 0.904 | (0;010) | ✗ | 02/02/17 |
Tc7B3 | ICSD | 615554 | P6_3mc (186) | ✗ | 20 | 228 | 3 | 0.0 | 0.001 | 1.000 | ? | ✗ | 21/03/17 |
Sr2FeWO6 | ICSD | 153430 | P2_1/c (14) | ✔ | 20 | 156 | 3 | 0.4533 | 0.457 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca2TaMnO6 | ICSD | 246091 | P2_1/m (11) | ✔ | 20 | 168 | 3 | 0.0 | 0.006 | 0.468 | (1;000) | ✗ | 02/02/17 |
Ca2MnReO6 | ICSD | 247998 | P2_1/c (14) | ✔ | 20 | 172 | 3 | 0.009 | 0.021 | 0.000 | (1;010) | ✗ | 02/02/17 |
B3Ru7 | COD | 1510953 | P6_3mc (186) | ✗ | 20 | 242 | 3 | 0.0 | 0.000 | 0.771 | ? | ✗ | 21/03/17 |
Ca2NiWO6 | ICSD | 155734 | P2_1/c (14) | ✔ | 20 | 160 | 2 | 0.0 | 0.135 | 0.107 | (0;000) | ✗ | 02/02/17 |
Ca2NiOsO6 | ICSD | 152444 | P2_1/c (14) | ✔ | 20 | 164 | 3 | 0.0359 | 0.078 | 0.000 | (0;000) | ✗ | 02/02/17 |
B3Rh7 | ICSD | 615290 | P6_3mc (186) | ✗ | 20 | 256 | 3 | 0.0 | 0.000 | 0.793 | ? | ✗ | 21/03/17 |
Ca2NiWO6 | ICSD | 160110 | P2_1/c (14) | ✔ | 20 | 160 | 3 | 0.0 | 0.037 | 0.636 | (0;000) | ✗ | 02/02/17 |
Ca2ScSbO6 | ICSD | 262995 | P2_1/c (14) | ✔ | 20 | 144 | 3 | 3.8324 | 4.021 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ti3FeS6 | COD | 9012120 | P-31c (163) | ✔ | 20 | 160 | 3 | 0.0 | 0.005 | 0.335 | (1;000) | ✗ | 02/02/17 |
MnNi(BiO3)2 | ICSD | 153857 | P2_1/c (14) | ✔ | 20 | 182 | 3 | 0.0 | 0.000 | 0.877 | (0;000) | ✗ | 02/02/17 |
GaAg(PSe3)2 | ICSD | 71971 | P-31c (163) | ✔ | 20 | 140 | 2 | 0.5331 | 0.564 | 0.000 | (0;000) | ✗ | 30/01/17 |
Li4TeO5 | COD | 1530934 | P-1 (2) | ✔ | 20 | 96 | 3 | 0.0 | 0.023 | 0.455 | (0;000) | ✗ | 29/03/17 |
Zr3Al2 | ICSD | 58231 | P4_2/mnm (136) | ✔ | 20 | 72 | 3 | 0.0 | 0.001 | 0.797 | (0;000) | ✗ | 30/01/17 |
RbH2OF | ICSD | 415010 | Pnma (62) | ✔ | 20 | 96 | 1 | 5.4701 | 5.470 | 0.000 | (0;000) | ✗ | 02/02/17 |
In2O3 | ICSD | 181835 | Pnma (62) | ✔ | 20 | 176 | 3 | 1.4566 | 1.721 | 0.000 | (0;000) | ✗ | 27/01/17 |
K3B6BrO10 | COD | 7205749 | R3m (160) | ✗ | 20 | 112 | 3 | 5.2393 | 5.245 | 0.000 | (0;000) | ✗ | 21/03/17 |
AgBi(PS3)2 | ICSD | 170639 | P-1 (2) | ✔ | 20 | 144 | 3 | 0.8572 | 1.113 | 0.000 | (0;000) | ✗ | 30/01/17 |
Y2Se3 | ICSD | 652183 | Fddd (70) | ✔ | 20 | 160 | 3 | 1.0568 | 1.111 | 0.000 | (0;000) | ✗ | 02/02/17 |
K3B6ClO10 | ICSD | 262005 | R3m (160) | ✗ | 20 | 112 | 3 | 5.5212 | 5.523 | 0.000 | (0;000) | ✗ | 21/03/17 |
SiH3F | ICSD | 60065 | P2_1/c (14) | ✔ | 20 | 56 | 1 | 6.3681 | 6.415 | 0.000 | (0;000) | ✗ | 02/02/17 |
TaTlSe3 | ICSD | 415528 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.1437 | 0.210 | 0.000 | (0;000) | ✗ | 02/02/17 |
MnBiS2Cl | ICSD | 172156 | Pnma (62) | ✔ | 20 | 196 | 3 | 0.0 | 0.000 | 0.355 | (1;011) | ✗ | 21/03/17 |
TcO3F | COD | 4339756 | P2_1/c (14) | ✔ | 20 | 160 | 2 | 5.8584 | 0.037 | 1.000 | (0;000) | ✗ | 02/02/17 |
NaNbO2F | ICSD | 38636 | Pnma (62) | ✔ | 20 | 164 | 3 | 0.0 | 0.000 | 0.741 | (0;110) | ✗ | 02/02/17 |
CsCaH3 | ICSD | 619212 | Pnma (62) | ✔ | 20 | 88 | 1 | 1.3396 | 1.504 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2TiOF6 | COD | 1000341 | Cc (9) | ✗ | 20 | 160 | 1 | 4.1131 | 4.113 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ga2I3 | ICSD | 24822 | P2_1/c (14) | ✔ | 20 | 188 | 1 | 2.2613 | 2.288 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na5MnO4 | ICSD | 47101 | Pmn2_1 (31) | ✗ | 20 | 168 | 1 | 0.0 | 0.009 | 0.285 | (1;001) | ✔ | 11/04/17 |
Ga3Ni5Ge2 | ICSD | 87203 | Cmcm (63) | ✔ | 20 | 194 | 3 | 0.0 | 0.000 | 0.978 | (0;000) | ✗ | 02/02/17 |
AgPb4ClO4 | ICSD | 68309 | P4/n (85) | ✔ | 20 | 196 | 2 | 2.1158 | 2.378 | 0.000 | (0;000) | ✗ | 30/01/17 |
WI3O | ICSD | 65183 | P4_2/mnm (136) | ✔ | 20 | 220 | 2 | 0.4029 | 0.476 | 0.000 | (0;000) | ✗ | 11/04/17 |
K3HWS4O | ICSD | 425986 | Pmn2_1 (31) | ✗ | 20 | 172 | 1 | 2.3309 | 2.332 | 0.000 | (0;000) | ✗ | 11/04/17 |
SrCO3 | COD | 9008198 | Pnma (62) | ✔ | 20 | 128 | 1 | 4.4705 | 4.482 | 0.000 | (0;000) | ✗ | 02/02/17 |
AgClO3 | COD | 8103389 | I4/m (87) | ✔ | 20 | 144 | 3 | 3.0144 | 3.202 | 0.000 | (0;000) | ✗ | 30/01/17 |
KNa3WO5 | ICSD | 40249 | C2/m (12) | ✔ | 20 | 188 | 1 | 3.6902 | 3.723 | 0.000 | (0;000) | ✗ | 11/04/17 |
Sr3Li2 | COD | 1528178 | P4_2/mnm (136) | ✔ | 20 | 144 | 1 | 0.0 | 0.000 | 0.522 | (1;000) | ✗ | 29/03/17 |
Ca3ReO6 | ICSD | 84791 | P2_1/c (14) | ✔ | 20 | 162 | 1 | 0.0 | 0.000 | 0.860 | (0;101) | ✗ | 02/02/17 |
BaBiO3 | COD | 2101573 | Pba2 (32) | ✗ | 20 | 172 | 3 | 0.0 | 0.079 | 0.415 | ? | ✗ | 21/03/17 |
CuAgF3 | ICSD | 174407 | P-1 (2) | ✔ | 20 | 172 | 3 | 0.0 | 0.009 | 0.589 | (1;011) | ✗ | 30/01/17 |
Ba4Zr(RuO4)3 | ICSD | 47133 | R-3m (166) | ✔ | 20 | 164 | 3 | 0.0 | 0.002 | 0.486 | (0;111) | ✗ | 21/03/17 |
Ca3TeO6 | ICSD | 16362 | P2_1/c (14) | ✔ | 20 | 144 | 1 | 3.7915 | 4.049 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca3WO6 | ICSD | 262323 | P2_1/c (14) | ✔ | 20 | 160 | 1 | 3.2315 | 3.447 | 0.000 | (0;000) | ✗ | 02/02/17 |
KAgF3 | COD | 7200990 | Pnma (62) | ✔ | 20 | 164 | 3 | 0.0 | 0.001 | 0.443 | (0;110) | ✗ | 30/01/17 |
LiIO3 | COD | 1529780 | Pna2_1 (33) | ✗ | 20 | 112 | 1 | 2.9993 | 3.003 | 0.000 | (0;000) | ✗ | 29/03/17 |
BaFeCuF7 | COD | 1000216 | Cc (9) | ✗ | 20 | 156 | 3 | 0.0 | 0.009 | 0.016 | (0;000) | ✔ | 21/03/17 |
Ca2VBiO6 | ICSD | 50939 | Cmc2_1 (36) | ✗ | 20 | 168 | 1 | 2.9417 | 2.965 | 0.000 | (0;000) | ✗ | 21/03/17 |
CaCrO3 | ICSD | 245840 | Pnma (62) | ✔ | 20 | 168 | 3 | 0.0 | 0.003 | 0.479 | (0;000) | ✗ | 02/02/17 |
K5Ag(NO)2 | ICSD | 73296 | Pbam (55) | ✔ | 20 | 156 | 1 | 0.0 | 0.001 | 0.373 | (0;000) | ✗ | 30/01/17 |
Ga3Ni5Sn2 | ICSD | 634933 | Cmcm (63) | ✔ | 20 | 234 | 3 | 0.0 | 0.000 | 0.987 | (1;000) | ✗ | 02/02/17 |
InAg(PS3)2 | COD | 1000229 | P-31c (163) | ✔ | 20 | 140 | 2 | 1.1317 | 1.352 | 0.000 | (0;000) | ✗ | 30/01/17 |
AgSe3I | COD | 4027807 | Pmna (53) | ✔ | 20 | 144 | 3 | 1.3117 | 1.355 | 0.000 | (0;000) | ✗ | 30/01/17 |
InAg(PSe3)2 | ICSD | 71968 | P-31c (163) | ✔ | 20 | 140 | 2 | 0.4336 | 0.556 | 0.000 | (0;000) | ✗ | 30/01/17 |
Na4WO5 | ICSD | 85063 | P-1 (2) | ✔ | 20 | 188 | 2 | 0.0 | 0.022 | 0.061 | (0;000) | ✗ | 11/04/17 |
Ba(TlHg)2 | COD | 4104570 | P4_2/mnm (136) | ✔ | 20 | 240 | 3 | 0.0 | 0.002 | 0.730 | (1;000) | ✗ | 21/03/17 |
AgTe3I | COD | 4027808 | Pmna (53) | ✔ | 20 | 144 | 3 | 0.8152 | 0.815 | 0.000 | (0;000) | ✗ | 30/01/17 |
BaGeO3 | ICSD | 23925 | P2_12_12_1 (19) | ✗ | 20 | 128 | 1 | 3.833 | 3.835 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ba(MgSn)2 | ICSD | 41915 | P4/nmm (129) | ✔ | 20 | 232 | 3 | 0.0 | 0.004 | 0.429 | (0;001) | ✗ | 21/03/17 |
NbAgO3 | ICSD | 55647 | Cmcm (63) | ✔ | 20 | 168 | 3 | 1.2154 | 1.215 | 0.000 | (0;000) | ✗ | 30/01/17 |
BaSiO3 | ICSD | 6245 | P2_12_12_1 (19) | ✗ | 20 | 128 | 1 | 4.7894 | 4.910 | 0.000 | (0;000) | ✗ | 21/03/17 |
Rb2O3 | ICSD | 248539 | I-42d (122) | ✗ | 20 | 144 | 1 | 0.0 | 0.003 | 0.093 | (0;000) | ✔ | 11/04/17 |
BaMnO3 | ICSD | 24130 | P6_3/mmc (194) | ✔ | 20 | 172 | 3 | 0.0 | 0.002 | 0.513 | (0;000) | ✗ | 21/03/17 |
Ba(RhPb2)3 | ICSD | 58669 | Cmcm (63) | ✔ | 20 | 290 | 3 | 0.0 | 0.000 | 0.940 | (0;110) | ✗ | 21/03/17 |
Ba(Sn2Ru)3 | ICSD | 427286 | Cmcm (63) | ✔ | 20 | 284 | 3 | 0.0 | 0.006 | 0.953 | (0;000) | ✗ | 21/03/17 |
LiGaI3 | COD | 1530097 | P2_1/m (11) | ✔ | 20 | 148 | 1 | 2.2566 | 2.316 | 0.000 | (0;000) | ✗ | 02/02/17 |
VAgO3 | COD | 1509498 | C2/c (15) | ✔ | 20 | 168 | 3 | 1.898 | 1.899 | 0.000 | (0;000) | ✗ | 30/01/17 |
AgTeO3 | ICSD | 415472 | P2_1/m (11) | ✔ | 20 | 140 | 3 | 1.3644 | 1.456 | 0.000 | (0;000) | ✗ | 30/01/17 |
AgSbO3 | COD | 4336321 | Fd-3m (227) | ✔ | 20 | 136 | 3 | 0.3204 | 0.320 | 0.000 | (0;000) | ✗ | 30/01/17 |
AgSbO3 | COD | 1011279 | Fd-3m (227) | ✔ | 20 | 136 | 3 | 0.0 | 0.000 | 0.357 | (0;000) | ✗ | 30/01/17 |
TlV2AgO6 | ICSD | 201934 | C2/c (15) | ✔ | 20 | 172 | 3 | 2.1923 | 2.201 | 0.000 | (0;000) | ✗ | 30/01/17 |
MnCo(BiO3)2 | ICSD | 153856 | C2 (5) | ✗ | 20 | 196 | 3 | 0.0 | 0.001 | 0.519 | ? | ✗ | 21/03/17 |
Ca(ClO)2 | COD | 9008001 | Ccce (68) | ✔ | 20 | 144 | 1 | 0.0 | 0.021 | 0.172 | (1;000) | ✗ | 02/02/17 |
Bi2O3 | COD | 9012546 | P2_1/c (14) | ✔ | 20 | 192 | 3 | 2.2166 | 2.249 | 0.000 | (0;000) | ✗ | 02/02/17 |
S | COD | 9012364 | C2/c (15) | ✔ | 20 | 120 | 1 | 1.9556 | 2.174 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaCo(SiO3)2 | COD | 9003415 | C2/c (15) | ✔ | 20 | 142 | 3 | 0.0 | 0.000 | 0.608 | (1;101) | ✗ | 02/02/17 |
Bi2O3 | COD | 9012328 | P-4b2 (117) | ✗ | 20 | 192 | 3 | 0.0 | 0.000 | 0.728 | ? | ✗ | 21/03/17 |
Ga7Pt3 | ICSD | 635137 | Im-3m (229) | ✔ | 20 | 242 | 3 | 0.0 | 0.000 | 0.805 | (1;000) | ✗ | 02/02/17 |
Bi2O3 | COD | 4332559 | Pccn (56) | ✔ | 20 | 192 | 3 | 2.313 | 2.314 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ga7Ni3 | ICSD | 408313 | Im-3m (229) | ✔ | 20 | 242 | 3 | 0.0 | 0.000 | 0.749 | (1;000) | ✗ | 02/02/17 |
Ga7Pd3 | ICSD | 174527 | Im-3m (229) | ✔ | 20 | 290 | 3 | 0.0 | 0.000 | 0.807 | (1;000) | ✗ | 02/02/17 |
Bi2O3 | COD | 1010004 | P2_1/c (14) | ✔ | 20 | 192 | 3 | 0.0 | 0.077 | 0.116 | (1;000) | ✗ | 02/02/17 |
VAg(PS3)2 | ICSD | 202045 | P2/c (13) | ✔ | 20 | 140 | 2 | 0.0 | 0.006 | 0.301 | (0;000) | ✗ | 30/01/17 |
ScAg(PS3)2 | ICSD | 63273 | P-31c (163) | ✔ | 20 | 136 | 2 | 1.9499 | 1.955 | 0.000 | (0;000) | ✗ | 30/01/17 |
ScAg(PSe3)2 | ICSD | 420302 | P-31c (163) | ✔ | 20 | 136 | 2 | 1.5236 | 1.578 | 0.000 | (0;000) | ✗ | 30/01/17 |
NaGa(SiO3)2 | COD | 9010189 | C2/c (15) | ✔ | 20 | 132 | 3 | 4.6378 | 4.734 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2ZnReO6 | ICSD | 173492 | P2_1/c (14) | ✔ | 20 | 166 | 3 | 0.0 | 0.000 | 0.780 | (0;101) | ✗ | 02/02/17 |
CaTi4(FeO4)3 | COD | 9006334 | Im3 (204) | ✔ | 20 | 154 | 3 | 0.0639 | 0.072 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaCu | ICSD | 619217 | P2_1/m (11) | ✔ | 20 | 210 | 3 | 0.0 | 0.000 | 0.916 | (1;000) | ✗ | 02/02/17 |
Sn7Os3 | COD | 1521725 | Im-3m (229) | ✔ | 20 | 292 | 3 | 0.0 | 0.012 | 0.129 | (1;111) | ✗ | 02/02/17 |
KBi(PS3)2 | COD | 8100356 | P2_1 (4) | ✗ | 20 | 140 | 2 | 1.6544 | 1.819 | 0.000 | (0;000) | ✗ | 21/03/17 |
NaGa(SiO3)2 | COD | 2004306 | C2/c (15) | ✔ | 20 | 132 | 3 | 4.6082 | 4.699 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaCu(GeO3)2 | COD | 2100257 | C2/c (15) | ✔ | 20 | 130 | 3 | 0.0 | 0.000 | 0.281 | (0;010) | ✗ | 02/02/17 |
LiGa(SiO3)2 | COD | 9013865 | C2/c (15) | ✔ | 20 | 120 | 3 | 4.7408 | 4.877 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(AlSi)2 | COD | 4308098 | Pnma (62) | ✔ | 20 | 96 | 3 | 0.0 | 0.031 | 0.135 | (0;000) | ✗ | 30/01/17 |
KCaF3 | ICSD | 181643 | Pnma (62) | ✔ | 20 | 160 | 1 | 6.8806 | 6.902 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ga | COD | 9011120 | Cmcm (63) | ✔ | 20 | 260 | 3 | 0.0 | 0.009 | 0.865 | (1;000) | ✗ | 02/02/17 |
Bi2Se3 | COD | 9013424 | Pnma (62) | ✔ | 20 | 192 | 2 | 0.5823 | 0.586 | 0.000 | (0;000) | ✗ | 02/02/17 |