▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
SbIrS | ICSD | 41400 | P2_13 (198) | ✗ | 12 | 80 | 3 | 1.5396 | 1.688 | 0.000 | (0;000) | ✗ | 06/10/16 |
SbIrS | ICSD | 74630 | Pca2_1 (29) | ✗ | 12 | 80 | 3 | 0.9438 | 1.385 | 0.000 | (0;000) | ✗ | 06/10/16 |
MnSe2 | COD | 1010097 | Pa3 (205) | ✔ | 12 | 108 | 3 | 0.0 | 0.000 | 0.381 | (0;111) | ✗ | 02/02/17 |
MnTe2 | COD | 9014758 | Pa3 (205) | ✔ | 12 | 108 | 3 | 0.0 | 0.000 | 0.754 | (0;111) | ✗ | 02/02/17 |
PAuS4 | COD | 1510268 | P-1 (2) | ✔ | 12 | 80 | 1 | 1.0351 | 1.410 | 0.000 | (0;000) | ✗ | 02/02/17 |
ScTl(MoO4)2 | ICSD | 250340 | P-3m1 (164) | ✔ | 12 | 100 | 2 | 3.6796 | 3.711 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrF2 | ICSD | 262349 | Pnma (62) | ✔ | 12 | 96 | 2 | 0.0 | 0.001 | 0.071 | (1;000) | ✗ | 27/01/17 |
Y2Au | COD | 2018284 | Pnma (62) | ✔ | 12 | 132 | 3 | 0.0 | 0.002 | 0.595 | (0;011) | ✗ | 02/02/17 |
SiP2 | ICSD | 30693 | Pa3 (205) | ✔ | 12 | 56 | 3 | 0.0 | 0.924 | 0.248 | (0;000) | ✗ | 27/01/17 |
Nb4CoSi | ICSD | 43233 | P4/mcc (124) | ✔ | 12 | 146 | 3 | 0.0 | 0.000 | 0.851 | (0;000) | ✗ | 27/01/17 |
Sb2Au | COD | 9016730 | Pa3 (205) | ✔ | 12 | 84 | 3 | 0.0 | 0.000 | 0.781 | (1;111) | ✗ | 02/02/17 |
MnBr2 | ICSD | 67517 | Fd-3m (227) | ✔ | 12 | 116 | 3 | 0.0 | 0.002 | 0.320 | (0;000) | ✗ | 02/02/17 |
ZrP2 | ICSD | 24352 | Pnma (62) | ✔ | 12 | 56 | 3 | 0.0 | 0.014 | 0.085 | (1;000) | ✗ | 27/01/17 |
Na5ReO6 | ICSD | 38382 | C2/m (12) | ✔ | 12 | 96 | 1 | 2.3756 | 2.376 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaCrO4 | COD | 1010939 | I4_1/amd (141) | ✔ | 12 | 96 | 1 | 2.8326 | 2.833 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2PbO3 | ICSD | 22063 | Cmc2_1 (36) | ✗ | 12 | 100 | 1 | 0.9829 | 0.983 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaCu2O3 | COD | 2002243 | Pmmn (59) | ✔ | 12 | 100 | 3 | 0.0 | 0.009 | 0.954 | (0;000) | ✗ | 27/01/17 |
GaPd2 | COD | 1522865 | Pnma (62) | ✔ | 12 | 196 | 3 | 0.0 | 0.001 | 0.484 | (0;011) | ✗ | 27/01/17 |
NbCo2 | ICSD | 624273 | P6_3/mmc (194) | ✔ | 12 | 188 | 3 | 0.0 | 0.006 | 0.614 | (0;000) | ✗ | 27/01/17 |
RbNaTiO3 | ICSD | 78753 | C2/c (15) | ✔ | 12 | 96 | 1 | 3.7013 | 3.738 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaCuF4 | ICSD | 9928 | I4/mcm (140) | ✔ | 12 | 98 | 1 | 0.0 | 0.001 | 0.620 | (0;000) | ✗ | 27/01/17 |
BiSe | ICSD | 617073 | P-3m1 (164) | ✔ | 12 | 126 | 2 | 0.0 | 0.114 | 0.007 | (0;001) | ✗ | 02/02/17 |
CaF2 | ICSD | 656449 | Pnma (62) | ✔ | 12 | 96 | 1 | 8.4981 | 8.498 | 0.000 | (0;000) | ✗ | 27/01/17 |
Nb4CoP | ICSD | 9967 | P4/mcc (124) | ✔ | 12 | 148 | 3 | 0.0 | 0.002 | 0.357 | (0;110) | ✗ | 27/01/17 |
CaPdF4 | ICSD | 32674 | I4/mcm (140) | ✔ | 12 | 112 | 1 | 1.0496 | 1.050 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaZnF4 | COD | 1529060 | I4_1/a (88) | ✔ | 12 | 100 | 1 | 5.3128 | 5.313 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiSi2N3 | ICSD | 34118 | Ccm2_1 (36) | ✗ | 12 | 52 | 3 | 4.9582 | 5.231 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiSi2N3 | ICSD | 89524 | Ccm2_1 (36) | ✗ | 12 | 52 | 3 | 5.1783 | 5.661 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ag2CO3 | COD | 1007035 | P2_1/m (11) | ✔ | 12 | 88 | 3 | 0.6496 | 1.356 | 0.000 | (0;000) | ✗ | 27/01/17 |
ReS2 | ICSD | 650077 | P-1 (2) | ✔ | 12 | 108 | 2 | 0.8083 | 0.813 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaGa3Ni2 | ICSD | 58898 | Cmcm (63) | ✔ | 12 | 138 | 3 | 0.0 | 0.000 | 0.886 | (0;110) | ✗ | 27/01/17 |
NaO2 | ICSD | 26582 | Pa3 (205) | ✔ | 12 | 84 | 1 | 0.0 | 0.000 | 0.289 | (0;111) | ✗ | 27/01/17 |
ReSe2 | ICSD | 66658 | P-1 (2) | ✔ | 12 | 108 | 2 | 0.6829 | 0.814 | 0.000 | (0;000) | ✗ | 06/10/16 |
CoMoP | ICSD | 2421 | Pnma (62) | ✔ | 12 | 144 | 3 | 0.0 | 0.008 | 0.168 | (0;000) | ✗ | 27/01/17 |
ReTe2 | ICSD | 650162 | P-1 (2) | ✔ | 12 | 108 | 2 | 0.0 | 0.026 | 0.311 | (0;000) | ✗ | 02/02/17 |
NaReO4 | ICSD | 52337 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 3.8048 | 3.880 | 0.000 | (0;000) | ✗ | 27/01/17 |
AgP2 | ICSD | 35283 | P2_1/c (14) | ✔ | 12 | 84 | 2 | 0.6204 | 0.634 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ge2Mo | COD | 1528384 | Pnma (62) | ✔ | 12 | 88 | 3 | 0.0 | 0.026 | 0.156 | (1;000) | ✗ | 27/01/17 |
NiGe2 | ICSD | 90341 | Cmce (64) | ✔ | 12 | 72 | 3 | 0.0 | 0.017 | 0.540 | (0;110) | ✗ | 27/01/17 |
ZrSiMo | ICSD | 644448 | Pnma (62) | ✔ | 12 | 88 | 3 | 0.0 | 0.011 | 0.382 | (0;000) | ✗ | 02/02/17 |
Te2Mo | COD | 2310356 | P2_1/m (11) | ✔ | 12 | 104 | 2 | 0.0 | 0.034 | 0.170 | (0;000) | ✗ | 02/02/17 |
SbI3Cl8 | ICSD | 26402 | P-1 (2) | ✔ | 12 | 82 | 3 | 1.2444 | 1.285 | 0.000 | (0;000) | ✗ | 02/02/17 |
Nb4NiP | ICSD | 645089 | P4/mcc (124) | ✔ | 12 | 134 | 3 | 0.0 | 0.000 | 0.664 | (1;000) | ✗ | 27/01/17 |
NaSO4 | COD | 2208366 | P-1 (2) | ✔ | 12 | 78 | 1 | 3.9204 | 3.927 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaH2 | COD | 4103660 | Pnma (62) | ✔ | 12 | 48 | 1 | 3.0674 | 3.755 | 0.000 | (0;000) | ✗ | 27/01/17 |
Mo2C | ICSD | 246146 | Pbcn (60) | ✔ | 12 | 128 | 3 | 0.0 | 0.031 | 0.368 | (1;000) | ✗ | 27/01/17 |
CoSeO4 | ICSD | 109072 | Cmcm (63) | ✔ | 12 | 94 | 3 | 0.0 | 0.000 | 0.568 | (0;000) | ✗ | 27/01/17 |
K3Mn2Cl7 | ICSD | 36127 | I4/mmm (139) | ✔ | 12 | 106 | 2 | 0.0 | 0.004 | 0.851 | (0;000) | ✗ | 02/02/17 |
NaV(SO4)2 | ICSD | 71760 | C2/m (12) | ✔ | 12 | 82 | 2 | 0.0 | 0.024 | 0.674 | (0;000) | ✗ | 27/01/17 |
NbCoSi | ICSD | 624322 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.018 | 0.134 | (1;000) | ✗ | 27/01/17 |
NiSbS | ICSD | 44606 | P2_13 (198) | ✗ | 12 | 84 | 3 | 0.0 | 0.000 | 0.571 | ? | ✗ | 06/10/16 |
CoSiNi | ICSD | 165256 | Pnma (62) | ✔ | 12 | 124 | 3 | 0.0 | 0.000 | 0.473 | (0;011) | ✗ | 27/01/17 |
LiCaN | ICSD | 107304 | Pnma (62) | ✔ | 12 | 72 | 1 | 1.437 | 1.437 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbCoP | ICSD | 624292 | Pnma (62) | ✔ | 12 | 140 | 3 | 0.0 | 0.001 | 0.385 | (1;011) | ✗ | 27/01/17 |
SnICl | ICSD | 23262 | Pnma (62) | ✔ | 12 | 112 | 1 | 2.1913 | 2.256 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li2ReO3 | ICSD | 200999 | R3c (161) | ✗ | 12 | 78 | 3 | 0.0 | 0.001 | 0.327 | (0;111) | ✔ | 05/12/16 |
Li2SiO3 | ICSD | 100402 | Ccm2_1 (36) | ✗ | 12 | 56 | 1 | 5.3828 | 5.687 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba2Ge | ICSD | 25351 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.0 | 0.008 | 0.019 | (1;000) | ✗ | 02/02/17 |
Na2PS3 | ICSD | 426907 | C2/m (12) | ✔ | 12 | 82 | 1 | 2.7557 | 3.066 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li2SiO3 | ICSD | 16626 | Ccm2_1 (36) | ✗ | 12 | 56 | 1 | 4.9814 | 5.208 | 0.000 | (0;000) | ✗ | 06/10/16 |
Na2ZrSe3 | ICSD | 412158 | C2/m (12) | ✔ | 12 | 80 | 2 | 1.0681 | 1.371 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li2SiO3 | ICSD | 28192 | Ccm2_1 (36) | ✗ | 12 | 56 | 2 | 5.2008 | 5.421 | 0.000 | (0;000) | ✗ | 06/10/16 |
Na2S | COD | 2106220 | Pnma (62) | ✔ | 12 | 96 | 1 | 2.6588 | 2.659 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li2SiO3 | ICSD | 853 | Ccm2_1 (36) | ✗ | 12 | 56 | 1 | 5.3811 | 5.691 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba2In | ICSD | 261714 | Pnma (62) | ✔ | 12 | 132 | 1 | 0.0 | 0.000 | 0.462 | (1;011) | ✗ | 02/02/17 |
Li2ZrO3 | ICSD | 31941 | Cc (9) | ✗ | 12 | 56 | 3 | 3.6749 | 3.930 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaMoO4 | COD | 9009638 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 3.4169 | 3.417 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiAs | ICSD | 153457 | C2/m (12) | ✔ | 12 | 54 | 3 | 0.8022 | 0.969 | 0.000 | (0;000) | ✗ | 30/01/17 |
YNbO4 | COD | 9011436 | C2/c (15) | ✔ | 12 | 96 | 3 | 3.6266 | 3.747 | 0.000 | (0;000) | ✗ | 27/01/17 |
Nb4SiNi | ICSD | 76559 | P4/mcc (124) | ✔ | 12 | 132 | 3 | 0.0 | 0.004 | 0.349 | (1;110) | ✗ | 27/01/17 |
YF3 | COD | 1011296 | Pm-3m (221) | ✔ | 12 | 96 | 3 | 4.7827 | 4.951 | 0.000 | (0;000) | ✗ | 27/01/17 |
PbICl | ICSD | 22137 | Pnma (62) | ✔ | 12 | 112 | 1 | 1.9909 | 2.048 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbSiNi | ICSD | 645107 | Pnma (62) | ✔ | 12 | 108 | 3 | 0.0 | 0.001 | 0.382 | (1;011) | ✗ | 27/01/17 |
Mg2PN3 | ICSD | 27229 | Cmc2_1 (36) | ✗ | 12 | 80 | 3 | 3.1755 | 3.176 | 0.000 | (0;000) | ✗ | 06/10/16 |
NbNiP | ICSD | 645088 | Pnma (62) | ✔ | 12 | 112 | 3 | 0.0 | 0.013 | 0.279 | (0;000) | ✗ | 27/01/17 |
SnBr2 | ICSD | 411177 | Pnma (62) | ✔ | 12 | 112 | 1 | 2.2341 | 2.269 | 0.000 | (0;000) | ✗ | 02/02/17 |
Mg2PN3 | ICSD | 50224 | Cmc2_1 (36) | ✗ | 12 | 80 | 3 | 3.7075 | 4.301 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba2Pb | ICSD | 416561 | Pnma (62) | ✔ | 12 | 136 | 1 | 0.0261 | 0.029 | 0.000 | (1;000) | ✗ | 02/02/17 |
NaTl3(SO3)2 | ICSD | 1626 | P-3m1 (164) | ✔ | 12 | 96 | 1 | 3.0547 | 3.215 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hg2P3Cl | ICSD | 74771 | C2/c (15) | ✔ | 12 | 92 | 3 | 1.102 | 1.651 | 0.000 | (0;000) | ✗ | 02/02/17 |
PbBr2 | COD | 9009196 | Pnma (62) | ✔ | 12 | 112 | 2 | 2.537 | 2.640 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaSO4 | COD | 5000040 | Cmcm (63) | ✔ | 12 | 80 | 1 | 6.2076 | 6.694 | 0.000 | (0;000) | ✗ | 27/01/17 |
GaTeCl | COD | 7221395 | Pnnm (58) | ✔ | 12 | 104 | 2 | 2.0533 | 2.053 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2Sn | ICSD | 416562 | Pnma (62) | ✔ | 12 | 136 | 1 | 0.0388 | 0.039 | 0.000 | (0;000) | ✗ | 02/02/17 |
SnClF | ICSD | 647 | Pnma (62) | ✔ | 12 | 112 | 2 | 3.2601 | 3.299 | 0.000 | (0;000) | ✗ | 02/02/17 |
HfGeO4 | COD | 1001684 | I4_1/a (88) | ✔ | 12 | 80 | 3 | 4.3629 | 4.433 | 0.000 | (0;000) | ✗ | 27/01/17 |
HfNiGe | ICSD | 636577 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.038 | 0.196 | (1;000) | ✗ | 27/01/17 |
Ba2Si | ICSD | 52698 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.0 | 0.011 | 0.022 | (1;000) | ✗ | 02/02/17 |
HfGeIr | ICSD | 636558 | Pnma (62) | ✔ | 12 | 132 | 3 | 0.0 | 0.002 | 0.447 | (1;011) | ✗ | 27/01/17 |
BF2 | ICSD | 27867 | P2_1/c (14) | ✔ | 12 | 68 | 1 | 5.0014 | 5.057 | 0.000 | (0;000) | ✗ | 06/10/16 |
NbVP | ICSD | 645178 | Pnma (62) | ✔ | 12 | 124 | 3 | 0.0 | 0.000 | 0.707 | (0;011) | ✗ | 27/01/17 |
KFeF4 | ICSD | 23588 | Cmcm (63) | ✔ | 12 | 90 | 1 | 0.0 | 0.001 | 0.935 | (0;000) | ✗ | 27/01/17 |
Si3MoPt2 | ICSD | 174199 | Pm2_1b (26) | ✗ | 12 | 92 | 3 | 0.0 | 0.007 | 0.557 | ? | ✗ | 06/10/16 |
Na2CO3 | COD | 9011304 | C2/m (12) | ✔ | 12 | 80 | 1 | 3.9041 | 3.923 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbPRh | ICSD | 645173 | Pnma (62) | ✔ | 12 | 140 | 3 | 0.0 | 0.001 | 0.444 | (1;011) | ✗ | 27/01/17 |
NbSiPd | ICSD | 416177 | Pnma (62) | ✔ | 12 | 140 | 3 | 0.0 | 0.001 | 0.448 | (1;011) | ✗ | 27/01/17 |
Na2CO3 | ICSD | 81004 | P6_3/mmc (194) | ✔ | 12 | 80 | 1 | 2.6517 | 2.652 | 0.000 | (0;000) | ✗ | 27/01/17 |
Nb2Se | ICSD | 26183 | C2/m (12) | ✔ | 12 | 128 | 3 | 0.0 | 0.015 | 0.279 | (0;111) | ✗ | 02/02/17 |
NbPRu | ICSD | 645175 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.041 | 0.110 | (0;000) | ✗ | 27/01/17 |
HfGeRh | ICSD | 636582 | Pnma (62) | ✔ | 12 | 132 | 3 | 0.0 | 0.001 | 0.466 | (1;011) | ✗ | 27/01/17 |