▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cs2Te3As | ICSD | 405235 | P2_1/c (14) | ✔ | 24 | 164 | 3 | 0.8153 | 0.910 | 0.000 | (0;000) | ✗ | 04/08/17 |
Cu3As | COD | 1010982 | P-3c1 (165) | ✔ | 24 | 228 | 3 | 0.0 | 0.013 | 0.387 | (0;000) | ✗ | 04/08/17 |
Cu3As | ICSD | 26776 | P-3c1 (165) | ✔ | 24 | 228 | 3 | 0.0 | 0.003 | 0.300 | (1;000) | ✗ | 04/08/17 |
AsI5F6 | ICSD | 59115 | C2/c (15) | ✔ | 24 | 164 | 1 | 1.2767 | 1.296 | 0.000 | (0;000) | ✗ | 04/08/17 |
FeAsO4 | ICSD | 73978 | P2_1/c (14) | ✔ | 24 | 148 | 3 | 0.0 | 0.013 | 0.161 | (0;010) | ✗ | 04/08/17 |
GeAsSe | COD | 1524563 | Pnna (52) | ✔ | 24 | 120 | 2 | 1.459 | 1.513 | 0.000 | (0;000) | ✗ | 04/08/17 |
KAs | COD | 1527315 | Pbcm (57) | ✔ | 8 | 56 | 1 | 0.0 | 0.006 | 0.542 | (1;000) | ✗ | 04/08/17 |
Li3As | ICSD | 610785 | P-3c1 (165) | ✔ | 24 | 84 | 1 | 0.0 | 0.021 | 0.028 | (0;000) | ✗ | 04/08/17 |
MnAsO4 | ICSD | 165270 | P2_1/c (14) | ✔ | 24 | 176 | 3 | 0.0 | 0.010 | 0.172 | (0;000) | ✗ | 04/08/17 |
AsO2 | COD | 9007637 | Pnma (62) | ✔ | 24 | 136 | 3 | 4.0181 | 4.167 | 0.000 | (0;000) | ✗ | 04/08/17 |
AsPO4 | COD | 9009805 | Pnma (62) | ✔ | 24 | 136 | 3 | 4.9731 | 5.116 | 0.000 | (0;000) | ✗ | 04/08/17 |
CoAs | COD | 9007664 | Pnma (62) | ✔ | 8 | 88 | 3 | 0.0 | 0.024 | 0.383 | (0;000) | ✗ | 05/01/17 |
Mg(AuF4)2 | COD | 1510402 | P2_1/c (14) | ✔ | 22 | 176 | 3 | 2.1334 | 2.147 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ni(AuF4)2 | COD | 1510404 | P2_1/c (14) | ✔ | 22 | 176 | 3 | 0.0 | 0.022 | 0.147 | (0;000) | ✗ | 04/08/17 |
Zn(AuF4)2 | COD | 1510406 | P2_1/c (14) | ✔ | 22 | 180 | 3 | 1.8997 | 1.965 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsGa2Au3 | COD | 4329714 | Pnma (62) | ✔ | 24 | 272 | 3 | 0.0 | 0.031 | 0.373 | (1;000) | ✗ | 04/08/17 |
RbGa2Au3 | COD | 4329713 | Pnma (62) | ✔ | 24 | 272 | 3 | 0.0 | 0.019 | 0.321 | (1;000) | ✗ | 04/08/17 |
KAuBr4 | COD | 2008114 | P2_1/c (14) | ✔ | 24 | 192 | 1 | 0.9514 | 0.951 | 0.000 | (0;000) | ✗ | 04/08/17 |
NbAs2 | ICSD | 81218 | C2/m (12) | ✔ | 6 | 46 | 3 | 0.0 | 0.025 | 0.093 | (0;100) | ✔ | 04/10/16 |
KAuCl4 | COD | 1510092 | P2_1/c (14) | ✔ | 24 | 192 | 1 | 1.4946 | 1.495 | 0.000 | (0;000) | ✗ | 04/08/17 |
PAuCl4 | COD | 1510095 | P2_1/c (14) | ✔ | 24 | 176 | 1 | 2.4563 | 2.502 | 0.000 | (0;000) | ✗ | 04/08/17 |
YMnB4 | ICSD | 614788 | Pbam (55) | ✔ | 24 | 152 | 3 | 0.0 | 0.012 | 0.469 | (1;000) | ✗ | 04/08/17 |
LiAuF4 | COD | 1510139 | P2/c (13) | ✔ | 24 | 168 | 1 | 2.1239 | 2.131 | 0.000 | (0;000) | ✗ | 04/08/17 |
KAuI4 | COD | 1510186 | P2_1/c (14) | ✔ | 24 | 192 | 1 | 0.3927 | 0.397 | 0.000 | (0;000) | ✗ | 04/08/17 |
Mg3Au | COD | 1510235 | P-3c1 (165) | ✔ | 24 | 246 | 3 | 0.0 | 0.000 | 0.737 | (1;000) | ✗ | 04/08/17 |
Na2Sn3Au | ICSD | 107556 | P6_3/mmc (194) | ✔ | 24 | 284 | 3 | 0.0 | 0.011 | 0.176 | (1;000) | ✗ | 04/08/17 |
Na3AuO2 | COD | 1510250 | P4_2/mnm (136) | ✔ | 24 | 200 | 1 | 1.9989 | 1.999 | 0.000 | (0;000) | ✗ | 04/08/17 |
Sn2Au | COD | 1510306 | Pbca (61) | ✔ | 24 | 312 | 3 | 0.0 | 0.037 | 0.492 | (1;000) | ✗ | 04/08/17 |
CoAs | COD | 9008927 | Cmcm (63) | ✔ | 4 | 44 | 3 | 0.0 | 0.026 | 0.658 | (0;000) | ✗ | 05/01/17 |
Ca(BH)2 | ICSD | 163473 | Pnma (62) | ✔ | 20 | 72 | 2 | 0.0 | 0.007 | 0.740 | (1;000) | ✗ | 04/08/17 |
CoAsRh | COD | 1008977 | Pnma (62) | ✔ | 12 | 156 | 3 | 0.0 | 0.001 | 0.466 | (1;011) | ✗ | 05/01/17 |
Ca(BH4)2 | ICSD | 166671 | P4_2/m (84) | ✔ | 22 | 48 | 1 | 5.1908 | 5.191 | 0.000 | (0;000) | ✗ | 04/08/17 |
Cd3(BO3)2 | ICSD | 427222 | P-1 (2) | ✔ | 22 | 156 | 3 | 1.7867 | 2.021 | 0.000 | (0;000) | ✗ | 04/08/17 |
ScGaCu2 | COD | 1524876 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.015 | 0.251 | (1;000) | ✗ | 27/01/17 |
Ca3Hg | ICSD | 58903 | Pm-3m (221) | ✔ | 4 | 42 | 1 | 0.0 | 0.000 | 0.492 | (1;000) | ✗ | 27/01/17 |
K2B2S7 | COD | 1510733 | C2/c (15) | ✔ | 22 | 132 | 2 | 2.594 | 2.718 | 0.000 | (0;000) | ✗ | 04/08/17 |
K2B2Se7 | COD | 1510734 | C2/c (15) | ✔ | 22 | 132 | 2 | 1.7582 | 1.885 | 0.000 | (0;000) | ✗ | 04/08/17 |
Mg3(BO3)2 | COD | 9011448 | Pnnm (58) | ✔ | 22 | 144 | 3 | 5.4059 | 5.724 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na2B2Se7 | COD | 1510772 | C2/c (15) | ✔ | 22 | 132 | 3 | 1.5748 | 1.694 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na4B2O5 | COD | 1524718 | C2/c (15) | ✔ | 22 | 144 | 1 | 3.8345 | 3.860 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ni3(BO3)2 | COD | 9011451 | Pnnm (58) | ✔ | 22 | 144 | 3 | 0.0 | 0.005 | 0.412 | (1;000) | ✗ | 04/08/17 |
Y3Ni7B2 | ICSD | 615073 | P6_3/mmc (194) | ✔ | 24 | 218 | 3 | 0.0 | 0.000 | 0.874 | (0;000) | ✗ | 04/08/17 |
Sr3(BO3)2 | COD | 1100067 | R-3c (167) | ✔ | 22 | 144 | 1 | 4.6712 | 4.688 | 0.000 | (0;000) | ✗ | 04/08/17 |
Rb2B2Se7 | COD | 1510813 | C2/c (15) | ✔ | 22 | 132 | 2 | 1.852 | 1.932 | 0.000 | (0;000) | ✗ | 04/08/17 |
Sr(BS2)2 | COD | 1511644 | R-3 (148) | ✔ | 21 | 120 | 1 | 2.9285 | 2.929 | 0.000 | (0;000) | ✗ | 04/08/17 |
Tl2B2Se7 | COD | 1510832 | C2/c (15) | ✔ | 22 | 148 | 3 | 1.2078 | 1.298 | 0.000 | (0;000) | ✗ | 04/08/17 |
Y2Co7B3 | ICSD | 656888 | P6/mmm (191) | ✔ | 24 | 300 | 3 | 0.0 | 0.003 | 0.415 | (0;000) | ✗ | 04/08/17 |
CoAsS | ICSD | 44607 | P2_1/c (14) | ✔ | 12 | 112 | 3 | 0.0 | 0.019 | 0.303 | (0;000) | ✗ | 05/01/17 |
NaB3H8 | ICSD | 260964 | Pmmn (59) | ✔ | 24 | 52 | 1 | 4.6954 | 4.695 | 0.000 | (0;000) | ✗ | 04/08/17 |
Cr2As | COD | 9008330 | P4/nmm (129) | ✔ | 6 | 66 | 3 | 0.0 | 0.000 | 0.594 | (0;001) | ✗ | 05/01/17 |
CoB4O7 | ICSD | 420402 | Cmcm (63) | ✔ | 24 | 142 | 3 | 0.0 | 0.000 | 0.488 | (0;110) | ✗ | 04/08/17 |
ScCoB4 | ICSD | 613278 | Pbam (55) | ✔ | 24 | 160 | 3 | 0.0 | 0.003 | 0.303 | (1;000) | ✗ | 04/08/17 |
YCrB4 | COD | 1511723 | Pbam (55) | ✔ | 24 | 148 | 3 | 0.0 | 0.209 | 0.208 | (0;000) | ✗ | 04/08/17 |
CuB4O7 | ICSD | 391408 | Cmcm (63) | ✔ | 24 | 130 | 3 | 0.0 | 0.000 | 0.905 | (0;110) | ✗ | 04/08/17 |
FeB4O7 | ICSD | 420401 | Cmcm (63) | ✔ | 24 | 124 | 3 | 0.0 | 0.001 | 0.095 | (1;110) | ✗ | 04/08/17 |
ScFeB4 | ICSD | 614180 | Pbam (55) | ✔ | 24 | 124 | 3 | 0.0 | 0.003 | 0.524 | (0;000) | ✗ | 04/08/17 |
GaCu2 | ICSD | 627392 | Imma (74) | ✔ | 6 | 70 | 3 | 0.0 | 0.000 | 0.496 | (0;011) | ✗ | 27/01/17 |
Cr3AsN | ICSD | 25760 | I4/mcm (140) | ✔ | 10 | 104 | 3 | 0.0 | 0.002 | 0.578 | (0;111) | ✗ | 05/01/17 |
CrAs | ICSD | 107934 | P6_3/mmc (194) | ✔ | 4 | 38 | 3 | 0.0 | 0.000 | 0.793 | (1;000) | ✗ | 05/01/17 |
MnB4O7 | ICSD | 391409 | Cmcm (63) | ✔ | 24 | 138 | 3 | 0.0 | 0.000 | 0.469 | (0;000) | ✗ | 04/08/17 |
YB4Mo | COD | 1511488 | Pbam (55) | ✔ | 24 | 148 | 3 | 0.0 | 0.113 | 0.250 | (0;000) | ✗ | 04/08/17 |
NiB4O7 | ICSD | 391407 | Cmcm (63) | ✔ | 24 | 128 | 3 | 0.0 | 0.009 | 0.312 | (0;000) | ✗ | 04/08/17 |
ScNiB4 | COD | 1511495 | Pbam (55) | ✔ | 24 | 132 | 3 | 0.0 | 0.016 | 0.670 | (0;000) | ✗ | 04/08/17 |
YNiB4 | ICSD | 615085 | I4/mmm (139) | ✔ | 24 | 132 | 3 | 0.0 | 0.001 | 0.623 | (0;111) | ✗ | 04/08/17 |
ScInCu2 | COD | 1524629 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.020 | 0.310 | (1;000) | ✗ | 27/01/17 |
Hf(CuP)2 | ICSD | 53287 | P-3m1 (164) | ✔ | 5 | 44 | 3 | 0.0 | 0.001 | 0.174 | (1;000) | ✗ | 27/01/17 |
Ca3Zn | ICSD | 184359 | Cmcm (63) | ✔ | 8 | 84 | 1 | 0.0 | 0.002 | 0.471 | (1;110) | ✗ | 02/02/17 |
ZnB4O7 | COD | 1511503 | Cmcm (63) | ✔ | 24 | 132 | 3 | 5.6691 | 5.869 | 0.000 | (0;000) | ✗ | 04/08/17 |
YB4Os | ICSD | 615147 | Pbam (55) | ✔ | 24 | 156 | 3 | 0.0 | 0.006 | 0.393 | (0;000) | ✗ | 04/08/17 |
YReB4 | ICSD | 615278 | Pbam (55) | ✔ | 24 | 152 | 3 | 0.0 | 0.009 | 0.494 | (0;100) | ✗ | 04/08/17 |
YB4Rh | ICSD | 419358 | Pbam (55) | ✔ | 24 | 160 | 3 | 0.0 | 0.021 | 0.343 | (1;000) | ✗ | 04/08/17 |
YB4Ru | ICSD | 615400 | Pbam (55) | ✔ | 24 | 156 | 3 | 0.0 | 0.005 | 0.421 | (0;000) | ✗ | 04/08/17 |
YVB4 | ICSD | 615679 | Pbam (55) | ✔ | 24 | 144 | 3 | 0.0 | 0.010 | 0.208 | (1;000) | ✗ | 04/08/17 |
Cr(B3H8)2 | COD | 4112987 | P-1 (2) | ✔ | 23 | 48 | 1 | 0.0 | 0.033 | 0.041 | (0;000) | ✗ | 04/08/17 |
CrAs | COD | 9008929 | Pnma (62) | ✔ | 8 | 76 | 3 | 0.0 | 0.000 | 0.447 | (1;011) | ✗ | 05/01/17 |
Y3FeB7 | COD | 1511672 | Cmcm (63) | ✔ | 22 | 124 | 3 | 0.0 | 0.016 | 0.527 | (0;110) | ✗ | 04/08/17 |
MgB9N | COD | 2012796 | R-3m (166) | ✔ | 22 | 84 | 3 | 1.6873 | 1.742 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba2CdS3 | ICSD | 66654 | Pnma (62) | ✔ | 24 | 200 | 1 | 2.223 | 2.223 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba2CdSe3 | ICSD | 66653 | Pnma (62) | ✔ | 24 | 200 | 1 | 1.6033 | 1.603 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba2CdTe3 | COD | 2236699 | Pnma (62) | ✔ | 24 | 200 | 1 | 1.2195 | 1.220 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba2CoS3 | ICSD | 160295 | Pnma (62) | ✔ | 24 | 220 | 1 | 0.0 | 0.001 | 0.963 | (0;011) | ✗ | 04/08/17 |
Ba2FeS3 | ICSD | 615850 | Pnma (62) | ✔ | 24 | 184 | 1 | 0.0 | 0.004 | 0.943 | (1;000) | ✗ | 04/08/17 |
Ba2FeSe3 | ICSD | 615861 | Pnma (62) | ✔ | 24 | 184 | 1 | 0.0 | 0.003 | 0.935 | (1;000) | ✗ | 04/08/17 |
Ba2HgS3 | ICSD | 32647 | Pnma (62) | ✔ | 24 | 200 | 1 | 1.4448 | 1.445 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsAsF6 | ICSD | 408070 | R-3 (148) | ✔ | 8 | 56 | 1 | 6.2483 | 6.248 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ba2MnS3 | ICSD | 603195 | Pnma (62) | ✔ | 24 | 212 | 1 | 0.0 | 0.000 | 0.930 | (1;011) | ✗ | 04/08/17 |
Ba2MnSe3 | ICSD | 26230 | Pnma (62) | ✔ | 24 | 212 | 1 | 0.0 | 0.000 | 0.902 | (0;101) | ✗ | 04/08/17 |
Ba2MnTe3 | COD | 7221357 | Pnma (62) | ✔ | 24 | 212 | 1 | 0.0 | 0.001 | 0.869 | (1;011) | ✗ | 04/08/17 |
Ba2NbN3 | ICSD | 74906 | C2/c (15) | ✔ | 24 | 192 | 1 | 1.9768 | 1.997 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba2TaN3 | ICSD | 74503 | C2/c (15) | ✔ | 24 | 192 | 1 | 2.0204 | 2.027 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba2VN3 | ICSD | 80177 | Cmce (64) | ✔ | 24 | 192 | 2 | 0.8948 | 0.895 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba2ZnO3 | COD | 2002534 | C2/c (15) | ✔ | 24 | 200 | 2 | 2.883 | 2.885 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba2P3Pd | ICSD | 75019 | P2_1/c (14) | ✔ | 24 | 212 | 1 | 0.0 | 0.016 | 0.369 | (1;000) | ✗ | 04/08/17 |
Ba2ZnS3 | COD | 4327809 | Pnma (62) | ✔ | 24 | 200 | 1 | 2.0228 | 2.023 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba2ZnS3 | ICSD | 25554 | Pnma (62) | ✔ | 24 | 200 | 1 | 1.9695 | 1.970 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba3Sb2O | COD | 2011977 | Pbam (55) | ✔ | 24 | 184 | 1 | 0.3331 | 0.455 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba3Zr2S7 | ICSD | 69854 | Cccm (66) | ✔ | 24 | 160 | 2 | 0.1761 | 0.176 | 0.000 | (0;000) | ✗ | 04/08/17 |
Cu2GeO4 | COD | 1524532 | I4_1/amd (141) | ✔ | 14 | 100 | 3 | 0.0 | 0.001 | 0.845 | (1;111) | ✗ | 27/01/17 |
Ba5Nb4O15 | ICSD | 95192 | P-3m1 (164) | ✔ | 24 | 192 | 1 | 2.8172 | 2.827 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba5Ta4O15 | COD | 2106435 | P-3m1 (164) | ✔ | 24 | 192 | 1 | 0.3425 | 0.343 | 0.000 | (0;000) | ✗ | 04/08/17 |