▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ZrGeIr | ICSD | 636771 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.000 | 0.506 | (1;011) | ✗ | 02/02/17 |
K2GeSe3 | ICSD | 300233 | P-1 (2) | ✔ | 12 | 80 | 1 | 1.7432 | 1.819 | 0.000 | (0;000) | ✗ | 02/02/17 |
CrCoSi | ICSD | 622515 | Pnma (62) | ✔ | 12 | 140 | 3 | 0.0 | 0.000 | 0.454 | (0;011) | ✗ | 27/01/17 |
K2TiO3 | ICSD | 162216 | Cmcm (63) | ✔ | 12 | 96 | 1 | 3.5812 | 3.581 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaFeP | ICSD | 633105 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.016 | 0.164 | (0;000) | ✗ | 27/01/17 |
HgCl2 | COD | 9008046 | Pbam (55) | ✔ | 12 | 104 | 3 | 0.0 | 0.078 | 0.630 | (1;000) | ✗ | 27/01/17 |
Ca3Ni7B2 | COD | 8103447 | R-3m (166) | ✔ | 12 | 106 | 3 | 0.0 | 0.005 | 0.372 | (0;000) | ✗ | 05/01/17 |
CaSnPd | ICSD | 58690 | Pnma (62) | ✔ | 12 | 168 | 3 | 0.0 | 0.015 | 0.409 | (1;000) | ✗ | 02/02/17 |
CO2 | ICSD | 188894 | P4_12_12 (92) | ✗ | 12 | 64 | 1 | 2.6623 | 3.604 | 0.000 | (0;000) | ✗ | 06/10/16 |
FeS2 | COD | 9010011 | Pa3 (205) | ✔ | 12 | 80 | 3 | 0.0 | 0.000 | 0.299 | (1;000) | ✗ | 27/01/17 |
SrMgGe | ICSD | 42458 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.0 | 0.014 | 0.013 | (0;000) | ✗ | 02/02/17 |
FeSe2 | ICSD | 633475 | Pa3 (205) | ✔ | 12 | 80 | 3 | 0.4059 | 0.485 | 0.000 | (0;000) | ✗ | 27/01/17 |
YMnGe | ICSD | 97805 | Pnma (62) | ✔ | 12 | 120 | 3 | 0.0 | 0.011 | 0.644 | (1;000) | ✗ | 02/02/17 |
ZrMnGe | ICSD | 53716 | Pnma (62) | ✔ | 12 | 92 | 3 | 0.0 | 0.000 | 0.545 | (1;011) | ✗ | 02/02/17 |
MgNiGe | COD | 4335168 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.032 | 0.572 | (1;000) | ✗ | 27/01/17 |
CaInRh | ICSD | 410841 | Pnma (62) | ✔ | 12 | 160 | 3 | 0.0 | 0.010 | 0.691 | (1;000) | ✗ | 02/02/17 |
TlPO4 | COD | 2310637 | Cmcm (63) | ✔ | 12 | 84 | 3 | 1.5218 | 1.905 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaInPt | COD | 1527282 | Pnma (62) | ✔ | 12 | 132 | 3 | 0.0 | 0.000 | 0.828 | (0;011) | ✗ | 02/02/17 |
CaInPd | ICSD | 58689 | Pnma (62) | ✔ | 12 | 164 | 3 | 0.0 | 0.001 | 0.889 | (0;011) | ✗ | 02/02/17 |
CaMgSn | ICSD | 659600 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.007 | 0.147 | (0;000) | ✗ | 02/02/17 |
SrNiGe | COD | 4335169 | Pnma (62) | ✔ | 12 | 96 | 2 | 0.0 | 0.144 | 0.250 | (0;000) | ✗ | 02/02/17 |
YNiGe | ICSD | 427255 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.000 | 0.738 | (0;011) | ✗ | 02/02/17 |
Li2Ca | ICSD | 619389 | P6_3/mmc (194) | ✔ | 12 | 64 | 1 | 0.0 | 0.000 | 0.659 | (1;000) | ✗ | 02/02/17 |
CaMgSi | COD | 4000954 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.012 | 0.072 | (0;000) | ✗ | 02/02/17 |
Li2Ca | COD | 1527864 | P6_3/mmc (194) | ✔ | 12 | 64 | 1 | 0.0 | 0.001 | 0.548 | (1;000) | ✗ | 02/02/17 |
CaMg2 | COD | 4313238 | P6_3/mmc (194) | ✔ | 12 | 120 | 1 | 0.0 | 0.001 | 0.548 | (1;000) | ✗ | 02/02/17 |
LiCaSb | ICSD | 52775 | Pnma (62) | ✔ | 12 | 72 | 1 | 0.2069 | 0.231 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaMgPb | ICSD | 619403 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.010 | 0.172 | (0;000) | ✗ | 02/02/17 |
CaSiPd | ICSD | 69790 | P2_1/c (14) | ✔ | 12 | 128 | 3 | 0.0 | 0.014 | 0.135 | (1;000) | ✗ | 02/02/17 |
CaAlPd | ICSD | 370036 | Pbcm (57) | ✔ | 12 | 124 | 2 | 0.0 | 0.001 | 0.475 | (1;010) | ✗ | 30/01/17 |
ZrGePd | ICSD | 637568 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.005 | 0.082 | (1;000) | ✗ | 02/02/17 |
ScGePt | ICSD | 637648 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.004 | 0.736 | (0;011) | ✗ | 02/02/17 |
YGePt | ICSD | 637661 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.000 | 0.688 | (0;011) | ✗ | 02/02/17 |
ZrGePt | COD | 8103046 | Pnma (62) | ✔ | 12 | 72 | 3 | 0.0 | 0.038 | 0.071 | (1;000) | ✗ | 02/02/17 |
Rb2GeS3 | COD | 8100500 | C2/m (12) | ✔ | 12 | 80 | 1 | 2.3151 | 2.399 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2GeSe3 | ICSD | 402719 | C2/m (12) | ✔ | 12 | 80 | 1 | 0.8322 | 0.906 | 0.000 | (0;000) | ✗ | 02/02/17 |
FeS2 | ICSD | 15012 | Pa3 (205) | ✔ | 12 | 80 | 3 | 0.5231 | 0.568 | 0.000 | (0;000) | ✗ | 06/10/16 |
YGeRh | ICSD | 637723 | Pnma (62) | ✔ | 12 | 128 | 3 | 0.0 | 0.007 | 0.470 | (1;000) | ✗ | 02/02/17 |
ZnNi3B2 | COD | 4325891 | C2/m (12) | ✔ | 12 | 96 | 3 | 0.0 | 0.002 | 0.459 | (0;111) | ✗ | 05/01/17 |
KMn(SeO4)2 | ICSD | 80430 | P-1 (2) | ✔ | 12 | 84 | 2 | 0.0 | 0.041 | 0.039 | (0;000) | ✗ | 27/01/17 |
Tl2GeS3 | ICSD | 2240 | P-1 (2) | ✔ | 12 | 96 | 1 | 1.5977 | 1.697 | 0.000 | (0;000) | ✗ | 02/02/17 |
KLiO | ICSD | 30964 | Cmce (64) | ✔ | 12 | 72 | 2 | 2.6278 | 2.628 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrCaPb | COD | 1528700 | Pnma (62) | ✔ | 12 | 136 | 1 | 0.1438 | 0.163 | 0.000 | (0;000) | ✗ | 02/02/17 |
GeSb4Te7 | ICSD | 42875 | P-3m1 (164) | ✔ | 12 | 66 | 2 | 0.056 | 0.111 | 0.000 | (1;001) | ✗ | 02/02/17 |
Tl2GeSe3 | ICSD | 35043 | P-1 (2) | ✔ | 12 | 96 | 2 | 1.0351 | 1.142 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2Ge | COD | 1520914 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.3586 | 0.359 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsAl(MoO4)2 | COD | 2201257 | P-3m1 (164) | ✔ | 12 | 88 | 2 | 4.0981 | 4.098 | 0.000 | (0;000) | ✗ | 30/01/17 |
AlCdCl4 | ICSD | 59173 | P-1 (2) | ✔ | 12 | 86 | 2 | 2.972 | 3.200 | 0.000 | (0;000) | ✗ | 30/01/17 |
YZnGe | ICSD | 163345 | P6_3/mmc (194) | ✔ | 12 | 108 | 3 | 0.0 | 0.005 | 0.471 | (1;000) | ✗ | 02/02/17 |
KNaTiO3 | ICSD | 47177 | C2/c (15) | ✔ | 12 | 96 | 1 | 3.7164 | 3.740 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaAlPt | COD | 2230981 | Pnma (62) | ✔ | 12 | 92 | 3 | 0.0 | 0.006 | 0.883 | (0;011) | ✗ | 30/01/17 |
CaPtPb | ICSD | 602366 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.088 | 0.430 | (1;000) | ✗ | 02/02/17 |
NO2 | ICSD | 164631 | P2_1/m (11) | ✔ | 12 | 68 | 1 | 1.4082 | 1.460 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaPdPb | ICSD | 602349 | Pnma (62) | ✔ | 12 | 168 | 3 | 0.0 | 0.101 | 0.491 | (1;000) | ✗ | 02/02/17 |
Fe2N | ICSD | 150889 | Pcnb (60) | ✔ | 12 | 84 | 3 | 0.0 | 0.001 | 0.653 | (0;101) | ✗ | 06/10/16 |
ScFeSi | ICSD | 84203 | Pnma (62) | ✔ | 12 | 92 | 3 | 0.0 | 0.001 | 0.734 | (0;011) | ✗ | 27/01/17 |
LiCaBi | ICSD | 616539 | Pnma (62) | ✔ | 12 | 112 | 1 | 0.0 | 0.016 | 0.004 | (1;000) | ✗ | 02/02/17 |
NO2 | ICSD | 28331 | P2_1/c (14) | ✔ | 12 | 68 | 1 | 2.5717 | 2.624 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaSnPt | ICSD | 602355 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.022 | 0.419 | (1;000) | ✗ | 02/02/17 |
CaPt2 | ICSD | 619516 | P6_3/mmc (194) | ✔ | 12 | 120 | 3 | 0.0 | 0.004 | 0.431 | (1;000) | ✗ | 02/02/17 |
CaSiPt | ICSD | 72642 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.046 | 0.529 | (1;000) | ✗ | 02/02/17 |
CaSiPt | ICSD | 72641 | P2_1/c (14) | ✔ | 12 | 96 | 3 | 0.0 | 0.128 | 0.101 | (1;000) | ✗ | 02/02/17 |
CaSbPt | ICSD | 60830 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.004 | 0.775 | (0;011) | ✗ | 02/02/17 |
KV(SO4)2 | ICSD | 59175 | R-3 (148) | ✔ | 12 | 82 | 2 | 0.0 | 0.021 | 0.042 | (0;000) | ✗ | 27/01/17 |
WO3 | COD | 1004057 | P6/mmm (191) | ✔ | 12 | 96 | 3 | 0.5769 | 1.475 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaZn2 | ICSD | 418878 | P6_3/mmc (194) | ✔ | 12 | 136 | 3 | 0.0 | 0.009 | 0.605 | (0;000) | ✗ | 02/02/17 |
KSb(PO4)2 | ICSD | 61788 | R-3 (148) | ✔ | 12 | 72 | 2 | 3.588 | 3.747 | 0.000 | (0;000) | ✗ | 27/01/17 |
CdSO4 | ICSD | 100317 | Pn2_1m (31) | ✗ | 12 | 84 | 3 | 3.4241 | 3.718 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrCaSn | COD | 1528699 | Pnma (62) | ✔ | 12 | 136 | 1 | 0.2503 | 0.255 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hf2Te | ICSD | 83965 | C2/m (12) | ✔ | 12 | 120 | 3 | 0.0 | 0.020 | 0.842 | (0;000) | ✗ | 02/02/17 |
SrCaSi | COD | 1528697 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.4161 | 0.434 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdSO4 | ICSD | 25772 | Pn2_1m (31) | ✗ | 12 | 84 | 3 | 2.8065 | 3.264 | 0.000 | (0;000) | ✗ | 06/10/16 |
KSO4 | COD | 1010892 | P-1 (2) | ✔ | 12 | 78 | 1 | 0.4677 | 0.523 | 0.000 | (0;000) | ✗ | 27/01/17 |
CdSO4 | ICSD | 9723 | P3m1 (156) | ✗ | 12 | 84 | 3 | 0.0 | 0.005 | 0.221 | ? | ✗ | 06/10/16 |
KPd2O3 | COD | 4314864 | R-3m (166) | ✔ | 12 | 126 | 3 | 0.084 | 0.485 | 0.000 | (0;000) | ✗ | 27/01/17 |
BiSBr | ICSD | 31389 | Pnma (62) | ✔ | 12 | 112 | 1 | 1.4144 | 1.467 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hf4NiP | ICSD | 638708 | P4/mcc (124) | ✔ | 12 | 126 | 3 | 0.0 | 0.000 | 0.515 | (0;110) | ✗ | 02/02/17 |
Ba2CaCu2HgO6 | ICSD | 75729 | P4/mmm (123) | ✔ | 12 | 100 | 2 | 0.0 | 0.003 | 0.988 | (1;110) | ✗ | 05/01/17 |
Li2NiO3 | ICSD | 153094 | C2/m (12) | ✔ | 12 | 68 | 2 | 0.9465 | 1.169 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cd2P3Cl | ICSD | 100818 | Cc (9) | ✗ | 12 | 92 | 3 | 1.2195 | 1.493 | 0.000 | (0;000) | ✗ | 06/10/16 |
NiSbS | ICSD | 53936 | P2_13 (198) | ✗ | 12 | 84 | 3 | 0.0 | 0.000 | 1.000 | ? | ✗ | 06/10/16 |
Cd2P3I | ICSD | 100816 | Cc (9) | ✗ | 12 | 92 | 3 | 0.9951 | 1.364 | 0.000 | (0;000) | ✗ | 06/10/16 |
Mg2SiCu3 | ICSD | 53304 | P6_3/mmc (194) | ✔ | 12 | 114 | 3 | 0.0 | 0.000 | 0.903 | (1;000) | ✗ | 27/01/17 |
K2NaAlP2 | ICSD | 73279 | Ibam (72) | ✔ | 12 | 80 | 1 | 1.6306 | 1.898 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ba2Y(CuO2)3 | COD | 1001421 | P4/mmm (123) | ✔ | 12 | 100 | 3 | 0.0 | 0.013 | 0.961 | (1;000) | ✗ | 05/01/17 |
HfNbP | ICSD | 75009 | Pnma (62) | ✔ | 12 | 120 | 3 | 0.0 | 0.024 | 0.219 | (1;000) | ✗ | 02/02/17 |
K2LiAlP2 | ICSD | 77275 | Ibam (72) | ✔ | 12 | 68 | 1 | 1.9439 | 2.255 | 0.000 | (0;000) | ✗ | 30/01/17 |
YAlPd | ICSD | 609063 | Pnma (62) | ✔ | 12 | 128 | 3 | 0.0 | 0.020 | 0.404 | (1;000) | ✗ | 30/01/17 |
LiCoF4 | COD | 1000261 | P2_1/c (14) | ✔ | 12 | 96 | 2 | 0.0757 | 0.121 | 0.000 | (0;000) | ✗ | 27/01/17 |
BiSeBr | ICSD | 76649 | Pnma (62) | ✔ | 12 | 112 | 1 | 0.595 | 0.788 | 0.000 | (0;000) | ✗ | 02/02/17 |
YAlPt | ICSD | 609165 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.048 | 0.476 | (1;000) | ✗ | 30/01/17 |
HfRe2 | ICSD | 150512 | P6_3/mmc (194) | ✔ | 12 | 168 | 3 | 0.0 | 0.000 | 0.801 | (0;000) | ✗ | 02/02/17 |
Na3AlP2 | ICSD | 73278 | Ibam (72) | ✔ | 12 | 80 | 1 | 1.3748 | 1.578 | 0.000 | (0;000) | ✗ | 30/01/17 |
MgAlSi | ICSD | 153548 | Pnma (62) | ✔ | 12 | 68 | 3 | 0.0 | 0.000 | 0.549 | (0;011) | ✗ | 30/01/17 |
HfSb | ICSD | 107591 | Cmcm (63) | ✔ | 12 | 102 | 3 | 0.0 | 0.000 | 0.647 | (1;000) | ✗ | 02/02/17 |
HfTl2Se3 | COD | 7019864 | P2_1/m (11) | ✔ | 12 | 112 | 3 | 0.4025 | 0.553 | 0.000 | (0;000) | ✗ | 02/02/17 |
PdSO4 | ICSD | 79559 | C2/c (15) | ✔ | 12 | 96 | 3 | 1.1467 | 1.229 | 0.000 | (0;000) | ✗ | 27/01/17 |
HfTe5 | COD | 1527386 | Cmcm (63) | ✔ | 12 | 84 | 2 | 0.0451 | 0.045 | 0.000 | (1;110) | ✗ | 02/02/17 |
ScPO4 | COD | 2310638 | I4_1/amd (141) | ✔ | 12 | 80 | 3 | 4.4694 | 4.641 | 0.000 | (0;000) | ✗ | 27/01/17 |
SbPO4 | ICSD | 62977 | P2_1/m (11) | ✔ | 12 | 68 | 2 | 0.0 | 4.450 | 1.000 | (0;000) | ✗ | 27/01/17 |