▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
AlSb | ICSD | 190422 | P6_3mc (186) | ✗ | 4 | 16 | 3 | 0.7926 | 0.793 | 0.000 | (0;000) | ✗ | 06/10/16 |
TaInS2 | ICSD | 74703 | P-6m2 (187) | ✗ | 4 | 38 | 3 | 0.0 | 0.042 | 0.397 | (1;100) | ✔ | 06/10/16 |
Rb3Bi | ICSD | 58849 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.0 | 0.000 | 0.038 | (1;000) | ✗ | 06/10/16 |
MgSiN2 | ICSD | 186509 | R-3m (166) | ✔ | 4 | 24 | 3 | 4.2341 | 5.092 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgO | ICSD | 181458 | P6_3/mmc (194) | ✔ | 4 | 32 | 3 | 3.275 | 3.275 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiPd3 | COD | 1522883 | Pm-3m (221) | ✔ | 4 | 66 | 3 | 0.0 | 0.000 | 0.376 | (1;111) | ✗ | 27/01/17 |
LiZn | COD | 1522318 | Fd-3m (227) | ✔ | 4 | 30 | 3 | 0.0 | 0.000 | 0.837 | (0;000) | ✗ | 27/01/17 |
BiPt | ICSD | 58845 | P6_3/mmc (194) | ✔ | 4 | 30 | 3 | 0.0 | 0.000 | 0.879 | (1;000) | ✗ | 06/10/16 |
LiAl2Rh | COD | 1523431 | Fm-3m (225) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.864 | (1;000) | ✗ | 05/01/17 |
BiPd | ICSD | 108171 | P6_3/mmc (194) | ✔ | 4 | 30 | 3 | 0.0 | 0.000 | 0.836 | (1;000) | ✗ | 06/10/16 |
LiYS2 | ICSD | 44957 | R-3m (166) | ✔ | 4 | 26 | 2 | 1.6757 | 2.755 | 0.000 | (0;000) | ✗ | 27/01/17 |
NiBi | ICSD | 58820 | P6_3/mmc (194) | ✔ | 4 | 50 | 3 | 0.0 | 0.000 | 0.745 | (0;000) | ✗ | 05/01/17 |
LiVS2 | COD | 1528269 | P-3m1 (164) | ✔ | 4 | 28 | 2 | 0.0 | 0.000 | 0.446 | (0;000) | ✗ | 27/01/17 |
LiYSe2 | ICSD | 44963 | R-3m (166) | ✔ | 4 | 26 | 2 | 1.0914 | 2.359 | 0.000 | (0;000) | ✗ | 27/01/17 |
MnNi2Sb | ICSD | 76080 | Fm-3m (225) | ✔ | 4 | 40 | 3 | 0.0 | 0.010 | 0.391 | (1;000) | ✗ | 27/01/17 |
LiRhO2 | COD | 1008161 | R-3m (166) | ✔ | 4 | 32 | 2 | 1.2294 | 1.393 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrAg | COD | 1509569 | P4/nmm (129) | ✔ | 4 | 30 | 3 | 0.0 | 0.000 | 0.856 | (0;000) | ✗ | 05/01/17 |
LiVO2 | COD | 1529719 | R-3m (166) | ✔ | 4 | 28 | 2 | 0.0 | 0.005 | 0.513 | (0;000) | ✗ | 27/01/17 |
LiN3 | ICSD | 34675 | C2/m (12) | ✔ | 4 | 18 | 1 | 3.7952 | 4.288 | 0.000 | (0;000) | ✗ | 27/01/17 |
CuH | ICSD | 44859 | P6_3mc (186) | ✗ | 4 | 24 | 3 | 0.5757 | 1.488 | 0.000 | (0;000) | ✗ | 06/10/16 |
BN | COD | 2016173 | P6_3/mmc (194) | ✔ | 4 | 16 | 2 | 4.1848 | 4.579 | 0.000 | (0;000) | ✗ | 27/01/17 |
BN | COD | 1010331 | P6/mmm (191) | ✔ | 4 | 16 | 2 | 0.0 | 0.000 | 0.351 | (0;000) | ✗ | 27/01/17 |
Na2LiN | COD | 1526569 | P6/mmm (191) | ✔ | 4 | 26 | 2 | 0.0 | 0.012 | 0.037 | (1;000) | ✗ | 27/01/17 |
CaHgO2 | ICSD | 80717 | R-3m (166) | ✔ | 4 | 34 | 2 | 2.556 | 2.950 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiMg2Tl | COD | 2310240 | Fm-3m (225) | ✔ | 4 | 36 | 3 | 0.0 | 0.382 | 0.358 | (0;000) | ✗ | 27/01/17 |
Li2O2 | COD | 9016055 | P4/nmm (129) | ✔ | 4 | 18 | 1 | 0.0 | 0.000 | 0.751 | (0;000) | ✗ | 27/01/17 |
AgCNO | ICSD | 27678 | Cmmm (65) | ✔ | 4 | 26 | 1 | 0.0 | 0.106 | 0.264 | (0;110) | ✗ | 27/01/17 |
MnBi | ICSD | 192873 | P6_3/mmc (194) | ✔ | 4 | 40 | 3 | 0.0 | 0.007 | 0.433 | (0;000) | ✗ | 06/10/16 |
Li3N | COD | 4311893 | P6/mmm (191) | ✔ | 4 | 14 | 0 | 1.0073 | 1.215 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li3Bi | ICSD | 58797 | Fm-3m (225) | ✔ | 4 | 24 | 1 | 0.0 | 0.403 | 0.105 | (0;000) | ✗ | 05/01/17 |
Li3Sb | COD | 1011380 | Fm-3m (225) | ✔ | 4 | 14 | 1 | 0.4978 | 2.071 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2ZnSn | COD | 1522875 | Fm-3m (225) | ✔ | 4 | 32 | 3 | 0.0 | 0.000 | 0.574 | (0;000) | ✗ | 27/01/17 |
BaGe | ICSD | 659524 | Cmcm (63) | ✔ | 4 | 28 | 1 | 0.0 | 0.013 | 0.141 | (0;110) | ✗ | 05/01/17 |
LiAuC2 | ICSD | 411253 | P-6m2 (187) | ✗ | 4 | 22 | 1 | 1.3575 | 1.469 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li3Tl | COD | 7221247 | Fm-3m (225) | ✔ | 4 | 22 | 1 | 0.0 | 0.000 | 0.826 | (0;000) | ✗ | 27/01/17 |
NbN | ICSD | 185442 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.0 | 0.008 | 0.291 | (1;100) | ✔ | 06/10/16 |
BC2N | ICSD | 191799 | P-4m2 (115) | ✗ | 4 | 16 | 3 | 1.4495 | 2.182 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiTlPd2 | ICSD | 54365 | I4/mmm (139) | ✔ | 4 | 52 | 3 | 0.0 | 0.035 | 0.704 | (0;000) | ✗ | 27/01/17 |
NbInSe2 | ICSD | 640056 | P-6m2 (187) | ✗ | 4 | 38 | 2 | 0.0 | 0.020 | 0.401 | (0;000) | ✔ | 06/10/16 |
K3Bi | ICSD | 58793 | Fm-3m (225) | ✔ | 4 | 42 | 1 | 0.0 | 0.000 | 0.012 | (1;000) | ✗ | 05/01/17 |
OsN | ICSD | 167513 | Pmn2_1 (31) | ✗ | 4 | 42 | 3 | 0.0 | 0.000 | 0.868 | (0;001) | ✔ | 06/10/16 |
AgSbTe2 | COD | 4111784 | R-3m (166) | ✔ | 4 | 28 | 3 | 0.0 | 0.671 | 0.213 | (0;000) | ✗ | 05/01/17 |
CaFeO2 | COD | 4124115 | P4/mmm (123) | ✔ | 4 | 30 | 2 | 0.0 | 0.009 | 0.726 | (0;000) | ✗ | 27/01/17 |
NaLi2N | COD | 1526565 | P6/mmm (191) | ✔ | 4 | 20 | 1 | 0.0 | 0.010 | 0.057 | (1;000) | ✗ | 27/01/17 |
MgCN2 | ICSD | 75039 | R-3m (166) | ✔ | 4 | 24 | 3 | 3.6366 | 4.688 | 0.000 | (0;000) | ✗ | 27/01/17 |
YCoC2 | ICSD | 57007 | C2mm (38) | ✗ | 4 | 28 | 3 | 0.0 | 0.036 | 0.259 | (1;100) | ✔ | 06/10/16 |
AgSbTe2 | COD | 4111783 | P4/mmm (123) | ✔ | 4 | 28 | 3 | 0.0 | 0.038 | 0.221 | (0;110) | ✗ | 05/01/17 |
YCoC2 | ICSD | 617468 | C2mm (38) | ✗ | 4 | 28 | 3 | 0.0 | 0.032 | 0.257 | (0;000) | ✔ | 06/10/16 |
GeS | ICSD | 155418 | Cmcm (63) | ✔ | 4 | 20 | 3 | 0.0 | 0.012 | 0.256 | (0;000) | ✗ | 06/10/16 |
CuTe | ICSD | 42592 | Pmmn (59) | ✔ | 4 | 34 | 1 | 0.0 | 0.000 | 0.952 | (1;010) | ✗ | 02/02/17 |
ScAgSe2 | ICSD | 155115 | P-3m1 (164) | ✔ | 4 | 34 | 3 | 0.4242 | 1.112 | 0.000 | (0;000) | ✗ | 05/01/17 |
CaGa | ICSD | 619272 | Cmcm (63) | ✔ | 4 | 46 | 1 | 0.0 | 0.000 | 0.934 | (0;110) | ✗ | 27/01/17 |
ScAgO2 | ICSD | 422442 | R-3m (166) | ✔ | 4 | 34 | 3 | 1.8493 | 2.738 | 0.000 | (0;000) | ✗ | 05/01/17 |
GaBN2 | ICSD | 187049 | P-4m2 (115) | ✗ | 4 | 26 | 3 | 3.328 | 3.344 | 0.000 | (0;000) | ✗ | 06/10/16 |
AgO | COD | 2310065 | C2/c (15) | ✔ | 4 | 34 | 3 | 0.0 | 0.000 | 0.283 | (1;010) | ✗ | 05/01/17 |
TiAg | ICSD | 605934 | P4/nmm (129) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.673 | (0;001) | ✗ | 05/01/17 |
NbGaCo2 | COD | 1524143 | Fm-3m (225) | ✔ | 4 | 60 | 3 | 0.0 | 0.023 | 0.653 | (0;000) | ✗ | 27/01/17 |
NaLi2Sb | ICSD | 54244 | Fm-3m (225) | ✔ | 4 | 20 | 1 | 0.483 | 1.512 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbAs | ICSD | 16585 | I4_1md (109) | ✗ | 4 | 36 | 3 | 0.0 | 0.019 | 0.026 | (0;101) | ✔ | 06/10/16 |
VGaCo2 | COD | 1524871 | Fm-3m (225) | ✔ | 4 | 60 | 3 | 0.0 | 0.011 | 0.486 | (0;000) | ✗ | 27/01/17 |
NaLi2N | COD | 1526562 | Fm-3m (225) | ✔ | 4 | 20 | 1 | 2.8455 | 2.846 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiCo2Ge | ICSD | 623633 | Fm-3m (225) | ✔ | 4 | 50 | 3 | 0.0 | 0.012 | 0.690 | (0;000) | ✗ | 27/01/17 |
BaHgO2 | ICSD | 74076 | R-3m (166) | ✔ | 4 | 34 | 1 | 2.5459 | 2.704 | 0.000 | (0;000) | ✗ | 05/01/17 |
BiI3 | ICSD | 187609 | Fm-3m (225) | ✔ | 4 | 26 | 3 | 0.0 | 0.002 | 0.318 | (0;000) | ✗ | 06/10/16 |
MnAlFe2 | ICSD | 57806 | Fm-3m (225) | ✔ | 4 | 34 | 3 | 0.0 | 0.000 | 0.764 | (1;000) | ✗ | 05/01/17 |
CaSi | ICSD | 55209 | Cmcm (63) | ✔ | 4 | 28 | 3 | 0.0 | 0.012 | 0.176 | (1;000) | ✗ | 27/01/17 |
Li2MgPb | COD | 1522014 | Fm-3m (225) | ✔ | 4 | 30 | 1 | 0.0 | 0.000 | 0.455 | (1;000) | ✗ | 27/01/17 |
NaLi2N | COD | 1526563 | Cmmm (65) | ✔ | 4 | 20 | 2 | 0.0 | 0.008 | 0.571 | (1;110) | ✗ | 27/01/17 |
LiScS2 | ICSD | 642305 | R-3m (166) | ✔ | 4 | 26 | 2 | 1.5243 | 2.409 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrNi | COD | 2310219 | Cmcm (63) | ✔ | 4 | 28 | 3 | 0.0 | 0.004 | 0.389 | (1;000) | ✗ | 27/01/17 |
KNa2Sb | ICSD | 44332 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.5785 | 0.579 | 0.000 | (0;000) | ✗ | 27/01/17 |
InAgSe2 | ICSD | 604401 | R-3m (166) | ✔ | 4 | 36 | 3 | 0.0 | 0.022 | 0.399 | (0;000) | ✗ | 05/01/17 |
KScO2 | ICSD | 34958 | R-3m (166) | ✔ | 4 | 32 | 2 | 3.7269 | 4.188 | 0.000 | (0;000) | ✗ | 27/01/17 |
InAgS2 | COD | 7209342 | R-3m (166) | ✔ | 4 | 36 | 3 | 0.5537 | 0.696 | 0.000 | (0;000) | ✗ | 05/01/17 |
InAgO2 | COD | 1509397 | R-3m (166) | ✔ | 4 | 36 | 3 | 0.352 | 1.070 | 0.000 | (0;000) | ✗ | 05/01/17 |
C | COD | 1512497 | P6_3/mmc (194) | ✔ | 4 | 16 | 2 | 0.0 | 0.000 | 0.043 | (0;000) | ✗ | 27/01/17 |
GaFe2Co | COD | 1524146 | Fm-3m (225) | ✔ | 4 | 46 | 3 | 0.0 | 0.006 | 0.350 | (1;000) | ✗ | 27/01/17 |
CoCuO2 | COD | 1008152 | R-3m (166) | ✔ | 4 | 40 | 3 | 0.695 | 0.971 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ag | COD | 1509194 | P6_3/mmc (194) | ✔ | 4 | 44 | 3 | 0.0 | 0.004 | 0.873 | (1;000) | ✗ | 05/01/17 |
CoAs | COD | 9008927 | Cmcm (63) | ✔ | 4 | 44 | 3 | 0.0 | 0.026 | 0.658 | (0;000) | ✗ | 05/01/17 |
KTlO2 | ICSD | 33553 | R-3m (166) | ✔ | 4 | 34 | 2 | 0.9793 | 1.140 | 0.000 | (0;000) | ✗ | 27/01/17 |
CoSe | COD | 9008886 | P6_3/mmc (194) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.810 | (0;000) | ✗ | 27/01/17 |
HfAg | ICSD | 605330 | P4/nmm (129) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.851 | (1;001) | ✗ | 05/01/17 |
LiAg | ICSD | 247145 | I4_1/amd (141) | ✔ | 4 | 28 | 3 | 0.0 | 0.025 | 0.646 | (1;111) | ✗ | 05/01/17 |
BiSe | ICSD | 72197 | F2mm (42) | ✗ | 4 | 42 | 2 | 0.0 | 0.033 | 0.537 | (1;110) | ✔ | 06/10/16 |
CaCl | COD | 9008985 | P4/nmm (129) | ✔ | 4 | 34 | 1 | 0.0 | 0.000 | 0.749 | (1;001) | ✗ | 27/01/17 |
K3Sb | ICSD | 44677 | Fm-3m (225) | ✔ | 4 | 32 | 1 | 0.6121 | 0.612 | 0.000 | (0;000) | ✗ | 27/01/17 |
KYO2 | ICSD | 49650 | R-3m (166) | ✔ | 4 | 32 | 2 | 3.4027 | 3.622 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrIr | ICSD | 657956 | P2_1/m (11) | ✔ | 4 | 42 | 3 | 0.0 | 0.000 | 0.743 | (1;001) | ✗ | 27/01/17 |
IrW | COD | 1523681 | Pmma (51) | ✔ | 4 | 62 | 3 | 0.0 | 0.000 | 0.984 | (0;101) | ✗ | 27/01/17 |
AlP | ICSD | 190421 | P6_3mc (186) | ✗ | 4 | 16 | 3 | 1.8868 | 2.426 | 0.000 | (0;000) | ✗ | 06/10/16 |
CuAgO2 | COD | 1509289 | C2/m (12) | ✔ | 4 | 34 | 3 | 0.0 | 0.165 | 0.014 | (0;000) | ✗ | 05/01/17 |
FeSe | ICSD | 182545 | Cmme (67) | ✔ | 4 | 28 | 2 | 0.0 | 0.020 | 0.084 | (0;000) | ✗ | 06/10/16 |
BiF3 | ICSD | 24522 | Fm-3m (225) | ✔ | 4 | 26 | 3 | 2.9096 | 3.077 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca3Pb | ICSD | 58921 | Pm-3m (221) | ✔ | 4 | 44 | 1 | 0.0 | 0.000 | 0.240 | (1;111) | ✗ | 27/01/17 |
TeIr | COD | 9008897 | P6_3/mmc (194) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.772 | (0;000) | ✗ | 27/01/17 |
CrPt3 | COD | 1524103 | Pm-3m (221) | ✔ | 4 | 44 | 3 | 0.0 | 0.000 | 0.886 | (0;000) | ✗ | 27/01/17 |
CrSnRh2 | ICSD | 626578 | I4/mmm (139) | ✔ | 4 | 62 | 3 | 0.0 | 0.016 | 0.453 | (0;111) | ✗ | 27/01/17 |
TaAs | ICSD | 44068 | I4_1md (109) | ✗ | 4 | 36 | 3 | 0.0 | 0.041 | 0.008 | (1;001) | ✔ | 06/10/16 |
VIr | COD | 2310206 | Cmmm (65) | ✔ | 4 | 60 | 3 | 0.0 | 0.017 | 0.606 | (0;111) | ✗ | 27/01/17 |