▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▴ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CsAs3O8 | COD | 2102799 | C2/c (15) | ✔ | 24 | 144 | 3 | 2.8495 | 2.850 | 0.000 | (0;000) | ✗ | 04/08/17 |
Cd(AsO4)4 | COD | 9014972 | P-1 (2) | ✔ | 21 | 128 | 2 | 0.0 | 0.005 | 0.517 | (0;100) | ✗ | 04/08/17 |
K7NbAs4 | ICSD | 380109 | Pmn2_1 (31) | ✗ | 24 | 192 | 1 | 1.2368 | 1.237 | 0.000 | (0;000) | ✗ | 04/08/17 |
K7TaAs4 | ICSD | 380110 | Pmn2_1 (31) | ✗ | 24 | 192 | 1 | 1.1533 | 1.155 | 0.000 | (0;000) | ✗ | 04/08/17 |
Rb7NbAs4 | ICSD | 380111 | Pmn2_1 (31) | ✗ | 24 | 192 | 1 | 0.8901 | 0.979 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba(As3Pt2)2 | ICSD | 62519 | C2/c (15) | ✔ | 22 | 160 | 3 | 0.308 | 0.368 | 0.000 | (0;000) | ✗ | 04/08/17 |
Sr(As3Pt2)2 | ICSD | 62518 | C2/c (15) | ✔ | 22 | 160 | 3 | 0.2122 | 0.304 | 0.000 | (0;000) | ✗ | 04/08/17 |
BiAsO4 | COD | 9011234 | P2_1/c (14) | ✔ | 24 | 176 | 3 | 3.0064 | 3.123 | 0.000 | (0;000) | ✗ | 04/08/17 |
AsBr5F6 | ICSD | 69057 | C2/c (15) | ✔ | 24 | 164 | 3 | 1.3271 | 1.352 | 0.000 | (0;000) | ✗ | 04/08/17 |
Cd4Cu7As | COD | 4329802 | Pnnm (58) | ✔ | 24 | 260 | 3 | 0.0 | 0.011 | 0.349 | (1;000) | ✗ | 04/08/17 |
AsCl2F3 | ICSD | 33884 | P4/n (85) | ✔ | 24 | 160 | 1 | 3.3147 | 3.340 | 0.000 | (0;000) | ✗ | 04/08/17 |
CoAsSe | ICSD | 41731 | Pbca (61) | ✔ | 24 | 224 | 3 | 0.0838 | 0.173 | 0.000 | (0;000) | ✗ | 04/08/17 |
CrAsO4 | ICSD | 62132 | Pnma (62) | ✔ | 24 | 172 | 3 | 0.0 | 0.000 | 0.670 | (0;101) | ✗ | 04/08/17 |
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 |
AsS2 | ICSD | 424590 | P2_1 (4) | ✗ | 24 | 136 | 2 | 1.2111 | 1.211 | 0.000 | (0;000) | ✗ | 04/08/17 |
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 |
Cd3Au | COD | 1510082 | P6_3cm (185) | ✗ | 24 | 282 | 3 | 0.0 | 0.000 | 0.689 | ? | ✗ | 04/08/17 |
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 |
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 |
Te2Au | COD | 1011091 | Pma2 (28) | ✗ | 24 | 184 | 3 | 0.0 | 0.002 | 0.593 | ? | ✗ | 04/08/17 |
Ca(BH)2 | ICSD | 163473 | Pnma (62) | ✔ | 20 | 72 | 2 | 0.0 | 0.007 | 0.740 | (1;000) | ✗ | 04/08/17 |
Ca(BH4)2 | ICSD | 163263 | I-42d (122) | ✗ | 22 | 48 | 1 | 5.277 | 5.461 | 0.000 | (0;000) | ✗ | 04/08/17 |
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 |
Cd(BH4)2 | ICSD | 262600 | P4_2nm (102) | ✗ | 22 | 52 | 3 | 3.7041 | 3.716 | 0.000 | (0;000) | ✗ | 04/08/17 |
Mg(BH4)2 | ICSD | 262083 | P4_2nm (102) | ✗ | 22 | 48 | 3 | 5.5084 | 5.786 | 0.000 | (0;000) | ✗ | 04/08/17 |
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 |
NaB3H8 | COD | 4337144 | Pmn2_1 (31) | ✗ | 24 | 52 | 1 | 6.0511 | 6.152 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaB3H8 | ICSD | 260964 | Pmmn (59) | ✔ | 24 | 52 | 1 | 4.6954 | 4.695 | 0.000 | (0;000) | ✗ | 04/08/17 |
CaB4O7 | COD | 7209486 | Pmn2_1 (31) | ✗ | 24 | 128 | 3 | 6.4573 | 6.760 | 0.000 | (0;000) | ✗ | 04/08/17 |
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 |
Hf(BH4)4 | ICSD | 35379 | P-43m (215) | ✗ | 21 | 40 | 1 | 5.6325 | 5.633 | 0.000 | (0;000) | ✗ | 04/08/17 |
Zr(BH4)4 | COD | 1508533 | P-43m (215) | ✗ | 21 | 32 | 1 | 5.126 | 5.409 | 0.000 | (0;000) | ✗ | 04/08/17 |
HgB4O7 | COD | 7209503 | Pmn2_1 (31) | ✗ | 24 | 132 | 3 | 2.0827 | 2.216 | 0.000 | (0;000) | ✗ | 04/08/17 |
MnB4O7 | ICSD | 391409 | Cmcm (63) | ✔ | 24 | 138 | 3 | 0.0 | 0.000 | 0.469 | (0;000) | ✗ | 04/08/17 |
YMnB4 | ICSD | 614788 | Pbam (55) | ✔ | 24 | 152 | 3 | 0.0 | 0.012 | 0.469 | (1;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 |
B4PbO7 | ICSD | 185673 | Pmn2_1 (31) | ✗ | 24 | 136 | 3 | 3.7884 | 4.333 | 0.000 | (0;000) | ✗ | 04/08/17 |
SnB4O7 | COD | 4001283 | Pmn2_1 (31) | ✗ | 24 | 136 | 3 | 3.5975 | 4.248 | 0.000 | (0;000) | ✗ | 04/08/17 |
SrB4O7 | COD | 1511501 | Pmn2_1 (31) | ✗ | 24 | 128 | 3 | 4.9996 | 5.180 | 0.000 | (0;000) | ✗ | 04/08/17 |
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 |
YB4W | ICSD | 615702 | Pbam (55) | ✔ | 24 | 204 | 3 | 0.0 | 0.253 | 0.037 | (0;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 |
Zn4B6O13 | COD | 1511638 | I-43m (217) | ✗ | 23 | 144 | 3 | 3.3838 | 3.384 | 0.000 | (0;000) | ✗ | 04/08/17 |
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 |
Ba2MnO3 | COD | 2002251 | Cc (9) | ✗ | 24 | 212 | 3 | 0.0 | 0.000 | 0.113 | ? | ✗ | 04/08/17 |
Ba2MnS3 | ICSD | 603195 | Pnma (62) | ✔ | 24 | 212 | 1 | 0.0 | 0.000 | 0.930 | (1;011) | ✗ | 04/08/17 |