▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Mn2As | COD | 9008324 | P4/nmm (129) | ✔ | 6 | 70 | 3 | 0.0 | 0.000 | 0.903 | (1;001) | ✗ | 05/01/17 |
RbIn(MoO4)2 | ICSD | 10186 | P-3m1 (164) | ✔ | 12 | 98 | 3 | 2.7374 | 2.739 | 0.000 | (0;000) | ✗ | 04/08/17 |
MnAs | ICSD | 9496 | Pnma (62) | ✔ | 8 | 80 | 3 | 0.0 | 0.006 | 0.343 | (1;000) | ✗ | 05/01/17 |
InPO4 | ICSD | 85579 | Pnma (62) | ✔ | 24 | 168 | 3 | 3.2206 | 3.365 | 0.000 | (0;000) | ✗ | 04/08/17 |
Fe3C | COD | 5910001 | P-1 (2) | ✔ | 16 | 112 | 3 | 0.0 | 0.012 | 0.187 | (1;011) | ✗ | 04/08/17 |
VInO4 | ICSD | 80360 | C2/m (12) | ✔ | 24 | 200 | 3 | 2.7743 | 2.914 | 0.000 | (0;000) | ✗ | 04/08/17 |
IO2 | ICSD | 63651 | P2_1/c (14) | ✔ | 24 | 152 | 2 | 1.4592 | 1.854 | 0.000 | (0;000) | ✗ | 04/08/17 |
Hf3(SiCu)4 | ICSD | 87201 | Immm (71) | ✔ | 11 | 96 | 3 | 0.0 | 0.017 | 0.509 | (0;111) | ✗ | 27/01/17 |
ZrZnCu2 | COD | 1524552 | Fm-3m (225) | ✔ | 4 | 38 | 3 | 0.0 | 0.015 | 0.206 | (0;000) | ✗ | 27/01/17 |
TePIr | ICSD | 601289 | Pbca (61) | ✔ | 24 | 224 | 2 | 0.7269 | 0.998 | 0.000 | (0;000) | ✗ | 04/08/17 |
IrS2 | ICSD | 640950 | Pnma (62) | ✔ | 24 | 232 | 3 | 0.5893 | 0.707 | 0.000 | (0;000) | ✗ | 04/08/17 |
IrSe2 | COD | 9009096 | Pnma (62) | ✔ | 24 | 232 | 3 | 0.1504 | 0.467 | 0.000 | (0;000) | ✗ | 04/08/17 |
Cu2S | ICSD | 628818 | Fm-3m (225) | ✔ | 3 | 28 | 3 | 0.035 | 0.037 | 0.000 | (1;000) | ✗ | 27/01/17 |
Te2Ir | COD | 1526502 | Pnma (62) | ✔ | 24 | 232 | 3 | 0.0 | 0.302 | 0.247 | (0;000) | ✗ | 04/08/17 |
Cu2Se | ICSD | 56025 | Fm-3m (225) | ✔ | 3 | 28 | 3 | 0.0 | 0.000 | 0.022 | (1;000) | ✗ | 27/01/17 |
Te2I | COD | 1527658 | Pnma (62) | ✔ | 24 | 152 | 1 | 0.0653 | 0.065 | 0.000 | (0;000) | ✗ | 04/08/17 |
K2PbO3 | COD | 1527292 | P6_3/mcm (193) | ✔ | 24 | 200 | 2 | 1.4768 | 1.514 | 0.000 | (0;000) | ✗ | 04/08/17 |
K2PbO3 | ICSD | 62138 | Pnma (62) | ✔ | 24 | 200 | 1 | 1.5548 | 1.558 | 0.000 | (0;000) | ✗ | 04/08/17 |
K2SnO3 | COD | 1527400 | Pnma (62) | ✔ | 24 | 200 | 1 | 2.3069 | 2.307 | 0.000 | (0;000) | ✗ | 04/08/17 |
K2SnO3 | ICSD | 24131 | Pnma (62) | ✔ | 24 | 200 | 2 | 1.6375 | 1.638 | 0.000 | (0;000) | ✗ | 04/08/17 |
K2ZrO3 | COD | 1527399 | Pnma (62) | ✔ | 24 | 160 | 1 | 3.7077 | 3.708 | 0.000 | (0;000) | ✗ | 04/08/17 |
K2S2O7 | COD | 4306603 | C2/c (15) | ✔ | 22 | 144 | 1 | 5.7762 | 5.796 | 0.000 | (0;000) | ✗ | 04/08/17 |
K2TeS3 | COD | 2008727 | P2_1/c (14) | ✔ | 24 | 168 | 1 | 2.3568 | 2.390 | 0.000 | (0;000) | ✗ | 04/08/17 |
K2TeSe3 | ICSD | 63012 | P2_1/c (14) | ✔ | 24 | 168 | 1 | 1.7685 | 1.866 | 0.000 | (0;000) | ✗ | 04/08/17 |
K2SnTe3 | COD | 8101316 | Cmce (64) | ✔ | 24 | 200 | 1 | 0.8357 | 0.844 | 0.000 | (0;000) | ✗ | 04/08/17 |
K2ZrTe3 | ICSD | 410734 | P2_1/c (14) | ✔ | 24 | 160 | 1 | 0.4061 | 0.409 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na3Cl2 | ICSD | 190543 | P4/m (83) | ✔ | 10 | 82 | 3 | 0.0 | 0.005 | 0.207 | (0;110) | ✗ | 06/10/16 |
NaMnAs | ICSD | 26461 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.866 | (1;000) | ✗ | 05/01/17 |
K4Zr5O12 | COD | 1527401 | P-3m1 (164) | ✔ | 21 | 128 | 3 | 3.1945 | 3.195 | 0.000 | (0;000) | ✗ | 04/08/17 |
KNb3O8 | COD | 1001208 | Cmcm (63) | ✔ | 24 | 192 | 1 | 2.7746 | 2.840 | 0.000 | (0;000) | ✗ | 04/08/17 |
KV3O8 | ICSD | 29075 | P2_1/m (11) | ✔ | 24 | 192 | 2 | 2.4896 | 2.547 | 0.000 | (0;000) | ✗ | 04/08/17 |
Li2MnO3 | COD | 1513958 | C2/m (12) | ✔ | 12 | 78 | 2 | 0.0 | 0.058 | 0.199 | (0;000) | ✗ | 04/08/17 |
Li2RuO3 | ICSD | 202611 | C2/m (12) | ✔ | 12 | 80 | 2 | 0.0 | 0.087 | 0.084 | (0;001) | ✗ | 04/08/17 |
Li2RuO3 | ICSD | 78721 | C2/c (15) | ✔ | 24 | 160 | 3 | 0.0 | 0.008 | 0.292 | (1;000) | ✗ | 04/08/17 |
Li2SnO3 | ICSD | 21053 | C2/c (15) | ✔ | 24 | 152 | 2 | 3.2923 | 3.543 | 0.000 | (0;000) | ✗ | 04/08/17 |
Li2TeO3 | ICSD | 4317 | C2/c (15) | ✔ | 24 | 120 | 1 | 3.5317 | 3.761 | 0.000 | (0;000) | ✗ | 04/08/17 |
Li2TiO3 | COD | 1515995 | C2/c (15) | ✔ | 24 | 144 | 2 | 3.2446 | 3.440 | 0.000 | (0;000) | ✗ | 04/08/17 |
Li2TiSiO5 | ICSD | 87596 | P4/nmm (129) | ✔ | 18 | 104 | 2 | 3.363 | 3.614 | 0.000 | (0;000) | ✗ | 04/08/17 |
Li2Ti3O7 | ICSD | 426263 | P2_1/m (11) | ✔ | 24 | 168 | 3 | 3.1549 | 3.155 | 0.000 | (0;000) | ✗ | 04/08/17 |
Li2SnS3 | COD | 4002128 | C2/c (15) | ✔ | 24 | 152 | 2 | 1.5363 | 1.546 | 0.000 | (0;000) | ✗ | 04/08/17 |
Li2TeS3 | ICSD | 415120 | P2_1/c (14) | ✔ | 24 | 120 | 1 | 1.1876 | 1.204 | 0.000 | (0;000) | ✗ | 04/08/17 |
Li2TeSe3 | ICSD | 415121 | P2_1/c (14) | ✔ | 24 | 120 | 3 | 0.7397 | 0.750 | 0.000 | (0;000) | ✗ | 04/08/17 |
Li6MoN4 | ICSD | 66095 | P4_2/nmc (137) | ✔ | 22 | 104 | 1 | 2.6915 | 2.731 | 0.000 | (0;000) | ✗ | 04/08/17 |
Li6WN4 | ICSD | 153620 | P4_2/nmc (137) | ✔ | 22 | 132 | 1 | 2.9707 | 3.006 | 0.000 | (0;000) | ✗ | 04/08/17 |
Li6ZnO4 | ICSD | 62137 | P4_2/nmc (137) | ✔ | 22 | 108 | 3 | 3.6926 | 3.693 | 0.000 | (0;000) | ✗ | 04/08/17 |
Li7VN4 | COD | 4344132 | P4_2/nmc (137) | ✔ | 24 | 108 | 3 | 2.228 | 2.228 | 0.000 | (0;000) | ✗ | 04/08/17 |
MnNiAs | ICSD | 610884 | Pnma (62) | ✔ | 12 | 120 | 3 | 0.0 | 0.002 | 0.449 | (0;000) | ✗ | 05/01/17 |
GeAs | ICSD | 610598 | C2/m (12) | ✔ | 12 | 54 | 3 | 0.3183 | 0.347 | 0.000 | (0;000) | ✔ | 06/10/16 |
LiMnO4 | COD | 1514003 | Cmcm (63) | ✔ | 12 | 84 | 1 | 1.4727 | 1.507 | 0.000 | (0;000) | ✗ | 04/08/17 |
LiSb3O8 | COD | 7117434 | P2_1/c (14) | ✔ | 24 | 132 | 3 | 0.0 | 1.308 | 1.000 | (0;000) | ✗ | 04/08/17 |
LiTa3O8 | COD | 9012127 | C2/c (15) | ✔ | 24 | 180 | 3 | 3.5605 | 3.610 | 0.000 | (0;000) | ✗ | 04/08/17 |
LiV3O8 | COD | 2310690 | P2_1/m (11) | ✔ | 24 | 180 | 3 | 1.2762 | 1.447 | 0.000 | (0;000) | ✗ | 04/08/17 |
MnAs | COD | 2310698 | Pnma (62) | ✔ | 8 | 80 | 3 | 0.0 | 0.017 | 0.497 | (0;000) | ✗ | 05/01/17 |
LiSbS2 | ICSD | 40457 | R-3 (148) | ✔ | 24 | 120 | 2 | 1.167 | 1.543 | 0.000 | (0;000) | ✗ | 04/08/17 |
MnAs | COD | 9008898 | P6_3/mmc (194) | ✔ | 4 | 40 | 3 | 0.0 | 0.000 | 0.336 | (1;000) | ✗ | 05/01/17 |
Cu2S | ICSD | 166578 | P6_3/mmc (194) | ✔ | 6 | 56 | 3 | 0.0 | 0.031 | 0.151 | (0;000) | ✗ | 27/01/17 |
PdCl2 | ICSD | 30209 | Pmnn (58) | ✔ | 6 | 48 | 1 | 0.7678 | 1.190 | 0.000 | (0;000) | ✗ | 06/10/16 |
MnAsPd2 | ICSD | 107955 | Fm-3m (225) | ✔ | 4 | 56 | 3 | 0.0 | 0.000 | 0.858 | (1;000) | ✗ | 05/01/17 |
MgMoO4 | COD | 2300504 | C2/m (12) | ✔ | 24 | 192 | 3 | 3.651 | 3.723 | 0.000 | (0;000) | ✗ | 04/08/17 |
MgNi2 | COD | 2106100 | P6_3/mmc (194) | ✔ | 24 | 240 | 3 | 0.0 | 0.005 | 0.765 | (1;000) | ✗ | 04/08/17 |
MgTiO3 | COD | 9010587 | R-3 (148) | ✔ | 10 | 80 | 3 | 3.7492 | 3.814 | 0.000 | (0;000) | ✗ | 04/08/17 |
MgSO4 | COD | 2214531 | Pnma (62) | ✔ | 24 | 160 | 3 | 5.9674 | 6.011 | 0.000 | (0;000) | ✗ | 04/08/17 |
MgSeO4 | ICSD | 109068 | Pnma (62) | ✔ | 24 | 160 | 3 | 4.585 | 4.603 | 0.000 | (0;000) | ✗ | 04/08/17 |
MgZn5 | ICSD | 151403 | C2/m (12) | ✔ | 24 | 280 | 3 | 0.0 | 0.007 | 0.634 | (0;110) | ✗ | 04/08/17 |
RbMnAs | COD | 1521904 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.838 | (0;000) | ✗ | 05/01/17 |
Na2Mn3O7 | COD | 4002329 | P-1 (2) | ✔ | 24 | 210 | 3 | 0.0 | 0.003 | 0.553 | (0;010) | ✗ | 04/08/17 |
MnMoO4 | COD | 1527061 | C2/m (12) | ✔ | 24 | 212 | 3 | 0.0 | 0.002 | 0.507 | (1;110) | ✗ | 04/08/17 |
RbMnO2 | ICSD | 419244 | P-1 (2) | ✔ | 24 | 216 | 2 | 0.0 | 0.023 | 0.698 | (0;000) | ✗ | 04/08/17 |
MnPO4 | COD | 1529150 | Pnma (62) | ✔ | 24 | 176 | 3 | 0.0 | 0.001 | 0.506 | (0;000) | ✗ | 04/08/17 |
MnSeO4 | ICSD | 25698 | Pnma (62) | ✔ | 24 | 180 | 3 | 0.0 | 0.000 | 0.546 | (0;101) | ✗ | 04/08/17 |
ZrMnSi2 | ICSD | 41390 | Immm (71) | ✔ | 24 | 162 | 3 | 0.0 | 0.004 | 0.758 | (1;000) | ✗ | 04/08/17 |
Sr(SiCu)2 | ICSD | 25313 | I4/mmm (139) | ✔ | 5 | 40 | 3 | 0.0 | 0.008 | 0.778 | (0;000) | ✗ | 27/01/17 |
MnVAs | COD | 1008988 | P4/nmm (129) | ✔ | 6 | 66 | 3 | 0.0 | 0.000 | 0.580 | (1;000) | ✗ | 05/01/17 |
MoAs | ICSD | 610957 | Pnma (62) | ✔ | 8 | 76 | 3 | 0.0 | 0.000 | 0.566 | (0;011) | ✗ | 05/01/17 |
Sr2NbN3 | ICSD | 51028 | C2/c (15) | ✔ | 24 | 192 | 1 | 2.2167 | 2.254 | 0.000 | (0;000) | ✗ | 04/08/17 |
Sr2TaN3 | COD | 1531138 | C2/c (15) | ✔ | 24 | 192 | 1 | 2.5714 | 2.602 | 0.000 | (0;000) | ✗ | 04/08/17 |
Sr2VN3 | ICSD | 80176 | C2/c (15) | ✔ | 24 | 192 | 1 | 1.6347 | 1.643 | 0.000 | (0;000) | ✗ | 04/08/17 |
W2N3 | ICSD | 186207 | P6_3/mmc (194) | ✔ | 10 | 142 | 2 | 0.0 | 0.000 | 0.768 | (0;000) | ✗ | 04/08/17 |
Nb5N6 | ICSD | 26252 | P6_3/mcm (193) | ✔ | 22 | 190 | 3 | 0.0 | 0.000 | 0.749 | (0;000) | ✗ | 04/08/17 |
P4N6O | ICSD | 79420 | Pnnm (58) | ✔ | 22 | 112 | 3 | 4.74 | 4.924 | 0.000 | (0;000) | ✗ | 04/08/17 |
S5N6 | COD | 1529768 | C2/c (15) | ✔ | 22 | 120 | 1 | 2.2357 | 2.285 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ta5N6 | ICSD | 166512 | P6_3/mcm (193) | ✔ | 22 | 190 | 3 | 0.0 | 0.000 | 0.755 | (0;000) | ✗ | 04/08/17 |
NaP4N7 | ICSD | 410629 | C2/c (15) | ✔ | 24 | 128 | 3 | 3.9679 | 4.005 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ni(N4O3)2 | COD | 9014131 | Fm-3m (225) | ✔ | 15 | 86 | 1 | 0.0 | 0.000 | 0.860 | (1;000) | ✗ | 04/08/17 |
Na2PtO3 | ICSD | 25019 | C2/c (15) | ✔ | 24 | 184 | 2 | 1.534 | 1.615 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na2PtO3 | ICSD | 25020 | Fddd (70) | ✔ | 24 | 184 | 3 | 1.473 | 1.523 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na2RuO3 | COD | 1532912 | C2/c (15) | ✔ | 24 | 208 | 3 | 0.0 | 0.023 | 0.366 | (0;000) | ✗ | 04/08/17 |
Na2SeO3 | COD | 9007931 | P2_1/c (14) | ✔ | 24 | 168 | 1 | 4.4238 | 4.459 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na2TeO3 | COD | 1524895 | P2_1/c (14) | ✔ | 24 | 168 | 1 | 3.3269 | 3.384 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na2S2O7 | ICSD | 413049 | P-1 (2) | ✔ | 22 | 144 | 1 | 5.6454 | 5.752 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na2Si3O7 | COD | 9006345 | C2/c (15) | ✔ | 24 | 144 | 3 | 4.9635 | 4.964 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na2Ti3O7 | COD | 2310331 | P2_1/m (11) | ✔ | 24 | 192 | 1 | 2.4871 | 2.682 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na2PSe3 | ICSD | 415240 | Cmce (64) | ✔ | 24 | 164 | 1 | 1.9493 | 2.108 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na2SnSe3 | ICSD | 300237 | P2_1/c (14) | ✔ | 24 | 200 | 1 | 1.4644 | 1.464 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na2TeSe3 | ICSD | 63011 | C2/c (15) | ✔ | 24 | 168 | 1 | 1.2376 | 1.291 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na3TlO2 | COD | 1530970 | Pnma (62) | ✔ | 24 | 208 | 1 | 1.8583 | 2.207 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na6PbO5 | ICSD | 21036 | Cmcm (63) | ✔ | 24 | 196 | 1 | 1.1219 | 1.122 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaNb3O8 | COD | 1001745 | Pmmn (59) | ✔ | 24 | 192 | 1 | 3.1021 | 3.402 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaNb3O8 | COD | 9012849 | Ibam (72) | ✔ | 24 | 192 | 3 | 2.3615 | 2.429 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaTa3O8 | COD | 9012848 | Ibam (72) | ✔ | 24 | 192 | 3 | 2.768 | 2.934 | 0.000 | (0;000) | ✗ | 04/08/17 |