▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ag2S | COD | 4329109 | P2_1/c (14) | ✔ | 12 | 112 | 3 | 0.0 | 0.020 | 0.016 | (0;000) | ✗ | 05/01/17 |
Hf4CuP | ICSD | 627906 | P4/mcc (124) | ✔ | 12 | 128 | 3 | 0.0 | 0.008 | 0.574 | (0;110) | ✗ | 02/02/17 |
PbO2 | ICSD | 189980 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.299 | 0.028 | (0;000) | ✗ | 27/01/17 |
LiBeB | ICSD | 191998 | P3m1 (156) | ✗ | 12 | 40 | 1 | 0.2863 | 0.631 | 0.000 | (0;000) | ✔ | 06/10/16 |
LiBeB | ICSD | 191999 | Im2m (44) | ✗ | 12 | 40 | 2 | 0.486 | 0.968 | 0.000 | (0;000) | ✔ | 06/10/16 |
KHfCuS3 | COD | 8101656 | Cmcm (63) | ✔ | 12 | 100 | 1 | 0.8118 | 0.821 | 0.000 | (0;000) | ✗ | 02/02/17 |
HfTlCuS3 | ICSD | 82562 | Cmcm (63) | ✔ | 12 | 108 | 3 | 0.9041 | 0.911 | 0.000 | (0;000) | ✗ | 02/02/17 |
HfTlCuSe3 | ICSD | 82563 | Cmcm (63) | ✔ | 12 | 108 | 3 | 0.4825 | 0.512 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiAg3O2 | COD | 7209378 | Ibam (72) | ✔ | 12 | 96 | 3 | 0.7463 | 0.746 | 0.000 | (0;000) | ✗ | 05/01/17 |
NaAg3O2 | COD | 7209379 | Ibam (72) | ✔ | 12 | 108 | 3 | 0.6845 | 0.685 | 0.000 | (0;000) | ✗ | 05/01/17 |
CuBIr | ICSD | 75029 | F2dd (43) | ✗ | 12 | 124 | 3 | 0.0 | 0.109 | 0.190 | (1;010) | ✔ | 20/12/16 |
GeSe2 | ICSD | 90957 | P-4 (81) | ✗ | 12 | 64 | 3 | 0.7241 | 0.727 | 0.000 | (0;000) | ✔ | 10/10/16 |
BIrPd | ICSD | 75030 | F2dd (43) | ✗ | 12 | 152 | 3 | 0.0 | 0.036 | 0.519 | (0;111) | ✔ | 05/12/16 |
SrCrF4 | ICSD | 26105 | I4/mcm (140) | ✔ | 12 | 104 | 1 | 0.1691 | 0.170 | 0.000 | (0;000) | ✗ | 27/01/17 |
AgAuF4 | COD | 4331391 | I4/mcm (140) | ✔ | 12 | 100 | 3 | 1.9268 | 1.932 | 0.000 | (0;000) | ✗ | 05/01/17 |
LiH3O2 | COD | 2106174 | C2/m (12) | ✔ | 12 | 36 | 1 | 3.8048 | 3.883 | 0.000 | (0;000) | ✗ | 27/01/17 |
Mg3H4O5 | COD | 1531171 | P-3m1 (164) | ✔ | 12 | 64 | 2 | 3.7053 | 3.705 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ta2V3Si | ICSD | 652343 | P6_3/mmc (194) | ✔ | 12 | 138 | 3 | 0.0 | 0.000 | 0.803 | (1;000) | ✗ | 27/01/17 |
CrFeP | COD | 9013159 | Pnma (62) | ✔ | 12 | 108 | 3 | 0.0 | 0.000 | 0.432 | (0;011) | ✗ | 27/01/17 |
AgH3BrN | COD | 7103195 | P2_1/m (11) | ✔ | 12 | 52 | 2 | 2.3806 | 2.588 | 0.000 | (0;000) | ✗ | 05/01/17 |
PbIBr | ICSD | 22138 | Pnma (62) | ✔ | 12 | 112 | 1 | 1.7861 | 1.908 | 0.000 | (0;000) | ✗ | 02/02/17 |
Te4MoBr | ICSD | 82245 | P-1 (2) | ✔ | 12 | 90 | 2 | 0.8068 | 0.807 | 0.000 | (0;000) | ✗ | 02/02/17 |
Be2Ru | ICSD | 616410 | P6_3/mmc (194) | ✔ | 12 | 96 | 1 | 0.0 | 0.003 | 0.511 | (0;000) | ✗ | 02/02/17 |
KCuO | ICSD | 40158 | I4/mmm (139) | ✔ | 12 | 104 | 2 | 1.2693 | 1.361 | 0.000 | (0;000) | ✗ | 02/02/17 |
HfSiMo | ICSD | 638634 | Pnma (62) | ✔ | 12 | 120 | 3 | 0.0 | 0.027 | 0.407 | (0;000) | ✗ | 27/01/17 |
KZrCuS3 | ICSD | 80624 | Cmcm (63) | ✔ | 12 | 84 | 1 | 0.5478 | 0.548 | 0.000 | (0;000) | ✗ | 02/02/17 |
YBPt2 | ICSD | 156946 | P6_222 (180) | ✗ | 12 | 102 | 3 | 0.0 | 0.009 | 0.363 | ? | ✗ | 06/10/16 |
KZrCuSe3 | ICSD | 80625 | Cmcm (63) | ✔ | 12 | 84 | 2 | 0.1374 | 0.137 | 0.000 | (0;000) | ✗ | 02/02/17 |
Mg2Cu | COD | 1525235 | Fddd (70) | ✔ | 12 | 124 | 3 | 0.0 | 0.004 | 0.623 | (1;111) | ✗ | 02/02/17 |
YP5 | ICSD | 409188 | P2_1/m (11) | ✔ | 12 | 72 | 2 | 0.0 | 0.731 | 0.053 | (0;000) | ✔ | 02/02/17 |
HfFe2 | ICSD | 632246 | P6_3/mmc (194) | ✔ | 12 | 112 | 3 | 0.0 | 0.005 | 0.440 | (1;000) | ✗ | 27/01/17 |
NaZrCuS3 | ICSD | 73887 | Cmcm (63) | ✔ | 12 | 84 | 2 | 0.5112 | 0.542 | 0.000 | (0;000) | ✗ | 02/02/17 |
YBPt2 | ICSD | 156947 | P6_222 (180) | ✗ | 12 | 102 | 3 | 0.0 | 0.012 | 0.375 | ? | ✗ | 06/10/16 |
AgF2 | COD | 1509321 | Pbca (61) | ✔ | 12 | 100 | 3 | 0.0 | 0.002 | 0.375 | (0;111) | ✗ | 05/01/17 |
CrSiNi | ICSD | 165255 | Pnma (62) | ✔ | 12 | 112 | 3 | 0.0 | 0.005 | 0.316 | (0;000) | ✗ | 27/01/17 |
KAgF4 | COD | 1509325 | I4/mcm (140) | ✔ | 12 | 96 | 1 | 2.0219 | 2.072 | 0.000 | (0;000) | ✗ | 05/01/17 |
SbSBr | COD | 1521208 | Pnma (62) | ✔ | 12 | 72 | 1 | 1.6118 | 1.785 | 0.000 | (0;000) | ✗ | 02/02/17 |
AgSO4 | ICSD | 421341 | P-1 (2) | ✔ | 12 | 82 | 3 | 0.0 | 0.042 | 0.104 | (1;111) | ✗ | 05/01/17 |
NaAgF4 | COD | 1509326 | I4/mcm (140) | ✔ | 12 | 96 | 1 | 1.7918 | 1.861 | 0.000 | (0;000) | ✗ | 05/01/17 |
HfMnSi | ICSD | 53024 | Pnma (62) | ✔ | 12 | 124 | 3 | 0.0 | 0.001 | 0.695 | (1;011) | ✗ | 27/01/17 |
CdCuF4 | COD | 4030528 | I4/mcm (140) | ✔ | 12 | 102 | 3 | 0.0 | 0.003 | 0.620 | (0;000) | ✗ | 27/01/17 |
HfSiIr | ICSD | 638584 | Pnma (62) | ✔ | 12 | 132 | 3 | 0.0 | 0.001 | 0.481 | (1;011) | ✗ | 27/01/17 |
HfCrSi | ICSD | 626157 | Pnma (62) | ✔ | 12 | 120 | 3 | 0.0 | 0.014 | 0.261 | (1;000) | ✗ | 27/01/17 |
CrHgO4 | ICSD | 416147 | Cmcm (63) | ✔ | 12 | 100 | 3 | 1.4079 | 1.427 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbCuO | COD | 1527532 | I4/m (87) | ✔ | 12 | 104 | 2 | 1.3663 | 1.415 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaAg(CN)2 | ICSD | 65697 | C2/c (15) | ✔ | 12 | 76 | 1 | 2.7425 | 2.854 | 0.000 | (0;000) | ✗ | 02/02/17 |
CrNiP | ICSD | 626440 | Pnma (62) | ✔ | 12 | 116 | 3 | 0.0 | 0.001 | 0.533 | (0;011) | ✗ | 27/01/17 |
MgCrO4 | COD | 1008083 | Cmcm (63) | ✔ | 12 | 96 | 3 | 2.3153 | 2.398 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zr4CuP | ICSD | 108398 | P4/mcc (124) | ✔ | 12 | 64 | 3 | 0.0 | 0.008 | 0.435 | (0;110) | ✗ | 02/02/17 |
Na3AgO2 | COD | 1528854 | Ibam (72) | ✔ | 12 | 100 | 2 | 1.173 | 1.345 | 0.000 | (0;000) | ✗ | 05/01/17 |
HfMn2 | COD | 1523075 | P6_3/mmc (194) | ✔ | 12 | 168 | 3 | 0.0 | 0.001 | 0.941 | (0;000) | ✗ | 27/01/17 |
NbCrP | ICSD | 53189 | Pnma (62) | ✔ | 12 | 128 | 3 | 0.0 | 0.015 | 0.379 | (1;000) | ✗ | 27/01/17 |
RbCuTe | COD | 4124306 | Pnma (62) | ✔ | 12 | 104 | 2 | 0.6184 | 0.618 | 0.000 | (0;000) | ✗ | 02/02/17 |
PbO2 | COD | 9009091 | Pbcn (60) | ✔ | 12 | 104 | 3 | 0.0 | 0.003 | 0.014 | (1;000) | ✗ | 27/01/17 |
BNCl2 | ICSD | 14276 | R3 (146) | ✗ | 12 | 66 | 1 | 2.3764 | 2.454 | 0.000 | (0;000) | ✗ | 06/10/16 |
ReAgO4 | COD | 2008824 | I4_1/a (88) | ✔ | 12 | 100 | 3 | 2.213 | 2.307 | 0.000 | (0;000) | ✗ | 05/01/17 |
BNCl2 | ICSD | 27255 | R3 (146) | ✗ | 12 | 66 | 1 | 2.3231 | 2.367 | 0.000 | (0;000) | ✗ | 06/10/16 |
HfNiP | ICSD | 638712 | Pnma (62) | ✔ | 12 | 108 | 3 | 0.0 | 0.001 | 0.313 | (0;011) | ✗ | 27/01/17 |
ZrTlCuS3 | ICSD | 82560 | Cmcm (63) | ✔ | 12 | 92 | 3 | 0.6218 | 0.636 | 0.000 | (0;000) | ✗ | 02/02/17 |
BNCl2 | ICSD | 28168 | R3 (146) | ✗ | 12 | 66 | 1 | 2.288 | 2.326 | 0.000 | (0;000) | ✗ | 06/10/16 |
BiTe | ICSD | 100654 | P-3m1 (164) | ✔ | 12 | 126 | 2 | 0.0457 | 0.097 | 0.000 | (0;001) | ✗ | 06/10/16 |
BaCoF4 | ICSD | 26067 | Ccm2_1 (36) | ✗ | 12 | 94 | 2 | 0.0 | 0.000 | 0.968 | ? | ✗ | 06/10/16 |
VCrO4 | ICSD | 36244 | Cmcm (63) | ✔ | 12 | 102 | 3 | 0.0 | 0.000 | 0.572 | (0;000) | ✗ | 27/01/17 |
BaCoF4 | ICSD | 261189 | Ccm2_1 (36) | ✗ | 12 | 94 | 2 | 0.0 | 0.000 | 0.965 | ? | ✗ | 06/10/16 |
HfNi3 | ICSD | 638697 | R-3m (166) | ✔ | 12 | 126 | 3 | 0.0 | 0.147 | 0.426 | (0;111) | ✗ | 27/01/17 |
CuSe2 | COD | 9011302 | Pa3 (205) | ✔ | 12 | 92 | 3 | 0.0 | 0.000 | 0.729 | (0;111) | ✗ | 02/02/17 |
ZrTlCuSe3 | ICSD | 82561 | Cmcm (63) | ✔ | 12 | 92 | 3 | 0.1992 | 0.238 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuSe | COD | 9000063 | P6_3/mmc (194) | ✔ | 12 | 102 | 3 | 0.0 | 0.000 | 0.949 | (1;001) | ✗ | 02/02/17 |
Fe2N | ICSD | 152811 | Pbcn (60) | ✔ | 12 | 84 | 3 | 0.0 | 0.000 | 0.668 | (0;101) | ✗ | 27/01/17 |
BaCuF4 | ICSD | 9930 | Cmc2_1 (36) | ✗ | 12 | 98 | 2 | 0.0 | 0.000 | 0.474 | (1;000) | ✔ | 28/11/16 |
CdF2 | ICSD | 183501 | Pnma (62) | ✔ | 12 | 104 | 3 | 3.4237 | 3.449 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrCuSn | ICSD | 190123 | Pnma (62) | ✔ | 12 | 116 | 3 | 0.0 | 0.000 | 0.402 | (1;011) | ✗ | 02/02/17 |
CuS | COD | 1010920 | P6_3/mmc (194) | ✔ | 12 | 102 | 3 | 0.0 | 0.000 | 0.845 | (0;000) | ✗ | 02/02/17 |
CrPO4 | ICSD | 248485 | Cmcm (63) | ✔ | 12 | 86 | 3 | 0.0 | 0.000 | 0.724 | (0;000) | ✗ | 27/01/17 |
CuTe2 | ICSD | 629329 | Pa3 (205) | ✔ | 12 | 92 | 3 | 0.0 | 0.000 | 0.676 | (1;111) | ✗ | 02/02/17 |
TiTlCuTe3 | ICSD | 81571 | P2_1/m (11) | ✔ | 12 | 108 | 3 | 0.0268 | 0.088 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaFeF4 | ICSD | 65252 | Ccm2_1 (36) | ✗ | 12 | 92 | 2 | 0.0333 | 0.270 | 0.000 | (0;000) | ✔ | 06/10/16 |
ZrBi | ICSD | 409756 | Cmcm (63) | ✔ | 12 | 54 | 3 | 0.0 | 0.000 | 0.702 | (1;110) | ✗ | 06/10/16 |
BaFeF4 | ICSD | 82765 | Ccm2_1 (36) | ✗ | 12 | 92 | 2 | 0.0565 | 0.274 | 0.000 | (0;000) | ✔ | 06/10/16 |
BaMgF4 | ICSD | 182596 | Ccm2_1 (36) | ✗ | 12 | 96 | 2 | 6.6299 | 6.798 | 0.000 | (0;000) | ✗ | 06/10/16 |
HfO2 | COD | 9013470 | P2_1/c (14) | ✔ | 12 | 96 | 3 | 4.1729 | 4.216 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaMgF4 | ICSD | 182597 | Ccm2_1 (36) | ✗ | 12 | 96 | 2 | 7.4872 | 7.496 | 0.000 | (0;000) | ✗ | 06/10/16 |
HfSiNi | ICSD | 638723 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.016 | 0.090 | (1;000) | ✗ | 27/01/17 |
NbFe2 | ICSD | 632782 | P6_3/mmc (194) | ✔ | 12 | 116 | 3 | 0.0 | 0.001 | 0.469 | (0;000) | ✗ | 27/01/17 |
BaMgF4 | ICSD | 182598 | Ccm2_1 (36) | ✗ | 12 | 96 | 2 | 7.6297 | 7.630 | 0.000 | (0;000) | ✗ | 06/10/16 |
Fe2Mo | COD | 1501464 | P6_3/mmc (194) | ✔ | 12 | 120 | 3 | 0.0 | 0.001 | 0.724 | (0;000) | ✗ | 27/01/17 |
BaMnF4 | ICSD | 108841 | Cmc2_1 (36) | ✗ | 12 | 106 | 2 | 0.0 | 0.000 | 0.949 | (1;101) | ✔ | 28/11/16 |
BaMgF4 | ICSD | 50227 | Ccm2_1 (36) | ✗ | 12 | 96 | 2 | 7.1288 | 7.150 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cs2Mo | ICSD | 24902 | Pnma (62) | ✔ | 12 | 128 | 1 | 0.0 | 0.009 | 0.467 | (1;000) | ✗ | 02/02/17 |
Bi2Ir | ICSD | 424397 | P2_1/c (14) | ✔ | 12 | 76 | 3 | 0.0 | 0.208 | 0.075 | (0;000) | ✗ | 06/10/16 |
BaMnF4 | ICSD | 182601 | Ccm2_1 (36) | ✗ | 12 | 106 | 2 | 0.0 | 0.000 | 0.920 | ? | ✗ | 06/10/16 |
HfSiRh | ICSD | 68790 | Pnma (62) | ✔ | 12 | 132 | 3 | 0.0 | 0.001 | 0.538 | (1;011) | ✗ | 27/01/17 |
BaMnF4 | ICSD | 182602 | Ccm2_1 (36) | ✗ | 12 | 106 | 2 | 0.0 | 0.000 | 0.800 | ? | ✗ | 06/10/16 |
TaFe2 | ICSD | 633780 | P6_3/mmc (194) | ✔ | 12 | 116 | 3 | 0.0 | 0.001 | 0.581 | (1;000) | ✗ | 27/01/17 |
BaMnF4 | ICSD | 182603 | Cmc2_1 (36) | ✗ | 12 | 106 | 3 | 0.0 | 0.000 | 0.897 | (1;001) | ✔ | 28/11/16 |
BaMnF4 | ICSD | 26066 | Ccm2_1 (36) | ✗ | 12 | 106 | 2 | 0.0 | 0.000 | 0.946 | ? | ✗ | 06/10/16 |
BaMnF4 | ICSD | 261188 | Ccm2_1 (36) | ✗ | 12 | 106 | 2 | 0.0 | 0.000 | 0.946 | ? | ✗ | 06/10/16 |
ZrCrSi | ICSD | 626850 | Pnma (62) | ✔ | 12 | 88 | 3 | 0.0 | 0.010 | 0.269 | (1;000) | ✗ | 27/01/17 |
Sn2IF3 | ICSD | 38268 | Cmcm (63) | ✔ | 12 | 112 | 1 | 2.3121 | 2.457 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2CO3 | COD | 2017545 | C2/m (12) | ✔ | 12 | 96 | 2 | 1.4491 | 2.153 | 0.000 | (0;000) | ✗ | 27/01/17 |