▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ni3Sn | ICSD | 646747 | Pmmn (59) | ✔ | 8 | 88 | 3 | 0.0 | 0.014 | 0.443 | (0;010) | ✗ | 27/01/17 |
TiB | COD | 9008946 | Pnma (62) | ✔ | 8 | 60 | 3 | 0.0 | 0.000 | 0.817 | (0;011) | ✗ | 27/01/17 |
MoRh3 | COD | 1523677 | P6_3/mmc (194) | ✔ | 8 | 130 | 3 | 0.0 | 0.000 | 0.830 | (0;000) | ✗ | 27/01/17 |
PbO | ICSD | 15402 | Pmab (57) | ✔ | 8 | 80 | 2 | 1.8544 | 2.040 | 0.000 | (0;000) | ✗ | 06/10/16 |
BN | ICSD | 162877 | Cm (8) | ✗ | 8 | 32 | 3 | 1.5525 | 1.567 | 0.000 | (0;000) | ✗ | 06/10/16 |
KHF2 | COD | 1010380 | I4/mcm (140) | ✔ | 8 | 48 | 2 | 6.0591 | 6.586 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScCoC2 | ICSD | 62598 | P4/nmm (129) | ✔ | 8 | 72 | 3 | 0.0 | 0.019 | 0.394 | (1;001) | ✗ | 27/01/17 |
ScCrC2 | ICSD | 80373 | P6_3/mmc (194) | ✔ | 8 | 66 | 3 | 0.0 | 0.000 | 0.951 | (1;000) | ✗ | 27/01/17 |
KHF2 | COD | 1009029 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 7.1061 | 7.160 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zn7Mo | ICSD | 130003 | Fm-3m (225) | ✔ | 8 | 98 | 3 | 0.0 | 0.056 | 0.627 | (1;000) | ✗ | 27/01/17 |
YInCo2 | ICSD | 658677 | Pmma (51) | ✔ | 8 | 116 | 3 | 0.0 | 0.005 | 0.397 | (1;000) | ✗ | 27/01/17 |
KCuC2 | ICSD | 412038 | P4_2/mmc (131) | ✔ | 8 | 56 | 2 | 2.0604 | 2.060 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScFeC2 | ICSD | 617820 | P4/nmm (129) | ✔ | 8 | 54 | 3 | 0.0 | 0.000 | 0.843 | (0;000) | ✗ | 27/01/17 |
AuI | COD | 9008986 | P4_2/ncm (138) | ✔ | 8 | 72 | 2 | 1.3722 | 1.708 | 0.000 | (0;000) | ✗ | 02/02/17 |
Te2AuI | COD | 1510184 | Pmma (51) | ✔ | 8 | 60 | 3 | 0.0 | 0.059 | 0.239 | (1;010) | ✗ | 02/02/17 |
SbRh | ICSD | 650244 | Pmnb (62) | ✔ | 8 | 88 | 3 | 0.0 | 0.053 | 0.326 | (0;000) | ✗ | 06/10/16 |
K2PAu | COD | 1008465 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.8255 | 0.826 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbI2O | ICSD | 36255 | C2 (5) | ✗ | 8 | 66 | 2 | 0.8298 | 0.837 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2SbAu | ICSD | 380340 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.863 | 0.965 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrGa3 | ICSD | 635698 | I4/mmm (139) | ✔ | 8 | 86 | 3 | 0.0 | 0.010 | 0.714 | (1;000) | ✗ | 27/01/17 |
RbHF2 | ICSD | 45859 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 6.8504 | 6.883 | 0.000 | (0;000) | ✗ | 27/01/17 |
BN | ICSD | 162880 | Cc (9) | ✗ | 8 | 32 | 3 | 3.3515 | 4.168 | 0.000 | (0;000) | ✗ | 06/10/16 |
ScNiC2 | ICSD | 618562 | P4/nmm (129) | ✔ | 8 | 58 | 3 | 0.0 | 0.000 | 0.711 | (0;000) | ✗ | 27/01/17 |
BaSb3 | ICSD | 49000 | C2/m (12) | ✔ | 8 | 50 | 1 | 0.0 | 0.104 | 0.361 | (1;001) | ✔ | 02/02/17 |
PRu | ICSD | 109139 | Pnma (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.000 | 0.331 | (0;011) | ✗ | 27/01/17 |
PW | ICSD | 42056 | Pmnb (62) | ✔ | 8 | 76 | 3 | 0.0 | 0.003 | 0.392 | (1;011) | ✗ | 06/10/16 |
RbN3 | ICSD | 34273 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 4.3028 | 4.303 | 0.000 | (0;000) | ✗ | 27/01/17 |
ClF | ICSD | 406442 | P2_1/c (14) | ✔ | 8 | 56 | 1 | 2.4667 | 2.494 | 0.000 | (0;000) | ✗ | 27/01/17 |
TlN3 | ICSD | 34271 | I4/mcm (140) | ✔ | 8 | 56 | 1 | 1.3825 | 1.933 | 0.000 | (0;000) | ✗ | 27/01/17 |
TlInS2 | ICSD | 640393 | P-6m2 (187) | ✗ | 8 | 76 | 3 | 0.0 | 0.232 | 0.283 | ? | ✗ | 06/10/16 |
Sc3CoC4 | COD | 2300492 | Immm (71) | ✔ | 8 | 66 | 3 | 0.0 | 0.006 | 0.545 | (1;111) | ✗ | 27/01/17 |
Na2SbAu | COD | 7209394 | Cmcm (63) | ✔ | 8 | 68 | 1 | 0.1268 | 0.189 | 0.000 | (0;000) | ✗ | 02/02/17 |
BN | ICSD | 162883 | P2_1/c (14) | ✔ | 8 | 32 | 2 | 3.1457 | 3.540 | 0.000 | (0;000) | ✗ | 06/10/16 |
TlInS2 | ICSD | 654688 | P6_3/mmc (194) | ✔ | 8 | 76 | 2 | 0.4358 | 1.181 | 0.000 | (0;000) | ✗ | 27/01/17 |
VS | ICSD | 52212 | Pnma (62) | ✔ | 8 | 76 | 3 | 0.0 | 0.001 | 0.771 | (0;011) | ✗ | 27/01/17 |
Sc3IrC4 | ICSD | 415137 | Immm (71) | ✔ | 8 | 66 | 3 | 0.0 | 0.024 | 0.504 | (1;111) | ✗ | 27/01/17 |
Sc3IrC4 | ICSD | 657402 | Immm (71) | ✔ | 8 | 66 | 3 | 0.0 | 0.020 | 0.462 | (1;111) | ✗ | 27/01/17 |
PbS | ICSD | 183241 | Pmnb (62) | ✔ | 8 | 80 | 2 | 0.9413 | 0.962 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sc3RhC4 | ICSD | 657400 | Immm (71) | ✔ | 8 | 66 | 3 | 0.0 | 0.009 | 0.520 | (1;111) | ✗ | 27/01/17 |
C5S3 | COD | 4109719 | Immm (71) | ✔ | 8 | 38 | 1 | 0.0 | 0.005 | 0.705 | (0;111) | ✗ | 27/01/17 |
PbSe | ICSD | 648514 | Pnma (62) | ✔ | 8 | 80 | 3 | 0.6688 | 0.905 | 0.000 | (0;000) | ✗ | 02/02/17 |
InGaSe2 | ICSD | 601131 | I4/mcm (140) | ✔ | 8 | 76 | 3 | 0.0 | 0.029 | 0.126 | (0;000) | ✗ | 27/01/17 |
TePb | ICSD | 190438 | Pnma (62) | ✔ | 8 | 80 | 3 | 0.0 | 0.040 | 0.112 | (0;000) | ✗ | 02/02/17 |
Ca2InN | COD | 1531106 | Cmcm (63) | ✔ | 8 | 76 | 1 | 0.0 | 0.119 | 0.326 | (0;110) | ✗ | 27/01/17 |
Zr3O | ICSD | 27023 | R-3c (167) | ✔ | 8 | 36 | 3 | 0.0 | 0.010 | 0.240 | (1;000) | ✗ | 27/01/17 |
SiPd | ICSD | 15016 | Pmnb (62) | ✔ | 8 | 56 | 3 | 0.0 | 0.016 | 0.394 | (0;000) | ✗ | 06/10/16 |
SiRh | ICSD | 653588 | P2_1/c (14) | ✔ | 8 | 84 | 3 | 0.0 | 0.703 | 0.033 | (0;000) | ✔ | 27/01/17 |
SnPd | ICSD | 105683 | Pmcn (62) | ✔ | 8 | 96 | 3 | 0.0 | 0.007 | 0.382 | (0;000) | ✗ | 06/10/16 |
SnP3 | COD | 1527463 | R-3m (166) | ✔ | 8 | 58 | 1 | 0.0 | 0.023 | 0.657 | (1;111) | ✗ | 27/01/17 |
Nb2CS | ICSD | 43010 | P6_3/mmc (194) | ✔ | 8 | 72 | 3 | 0.0 | 0.014 | 0.618 | (1;000) | ✗ | 27/01/17 |
SnPd | ICSD | 109415 | Pmnb (62) | ✔ | 8 | 96 | 3 | 0.0 | 0.018 | 0.403 | (0;000) | ✗ | 06/10/16 |
SiRu | ICSD | 650618 | P2_13 (198) | ✗ | 8 | 80 | 3 | 28.9579 | 0.291 | 1.000 | (0;000) | ✗ | 06/10/16 |
Mn3Ga | ICSD | 634607 | P6_3/mmc (194) | ✔ | 8 | 116 | 3 | 0.0 | 0.001 | 0.680 | (0;000) | ✗ | 27/01/17 |
FeF3 | COD | 2100650 | R-3c (167) | ✔ | 8 | 58 | 3 | 0.0 | 0.001 | 0.309 | (0;000) | ✗ | 27/01/17 |
GaMo3 | ICSD | 634695 | Pm-3n (223) | ✔ | 8 | 110 | 3 | 0.0 | 0.000 | 0.964 | (1;000) | ✗ | 27/01/17 |
Ti2GaN | ICSD | 634721 | P6_3/mmc (194) | ✔ | 8 | 84 | 3 | 0.0 | 0.001 | 0.525 | (1;000) | ✗ | 27/01/17 |
Nb3Ga | COD | 1522559 | Pm-3n (223) | ✔ | 8 | 104 | 3 | 0.0 | 0.001 | 0.667 | (0;000) | ✗ | 27/01/17 |
RbZn4P3 | COD | 4326075 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 0.1514 | 0.151 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaNbO2 | ICSD | 73111 | P6_3/mmc (194) | ✔ | 8 | 68 | 2 | 0.3537 | 1.376 | 0.000 | (0;000) | ✗ | 27/01/17 |
IrF3 | COD | 2310601 | R-3c (167) | ✔ | 8 | 76 | 3 | 1.079 | 1.198 | 0.000 | (0;000) | ✗ | 27/01/17 |
N3Cl | ICSD | 424502 | Cmc2_1 (36) | ✗ | 8 | 44 | 1 | 2.3446 | 2.370 | 0.000 | (0;000) | ✗ | 06/10/16 |
MgCO6 | COD | 5910029 | R-3m (166) | ✔ | 8 | 50 | 3 | 0.0 | 0.017 | 0.392 | (0;000) | ✗ | 27/01/17 |
TlGaO2 | ICSD | 33579 | R-3m (166) | ✔ | 8 | 76 | 3 | 1.5136 | 1.563 | 0.000 | (0;000) | ✗ | 27/01/17 |
GaF3 | COD | 8100893 | R-3c (167) | ✔ | 8 | 68 | 3 | 5.2468 | 5.247 | 0.000 | (0;000) | ✗ | 27/01/17 |
InF3 | COD | 1528562 | R-3c (167) | ✔ | 8 | 68 | 3 | 0.0 | 0.001 | 0.075 | (0;000) | ✗ | 27/01/17 |
SiPt | ICSD | 248491 | Pmnb (62) | ✔ | 8 | 56 | 1 | 0.0138 | 0.018 | 0.000 | (0;000) | ✗ | 06/10/16 |
Na3P | COD | 2207375 | P6_3/mmc (194) | ✔ | 8 | 64 | 1 | 0.4447 | 0.445 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaCrF6 | COD | 1525280 | R-3 (148) | ✔ | 8 | 66 | 1 | 0.0 | 0.021 | 0.350 | (0;000) | ✗ | 27/01/17 |
InF3 | ICSD | 38306 | R-3c (167) | ✔ | 8 | 68 | 3 | 4.4815 | 4.509 | 0.000 | (0;000) | ✗ | 27/01/17 |
GaSe | ICSD | 20237 | P6_3/mmc (194) | ✔ | 8 | 76 | 2 | 0.0 | 0.040 | 0.118 | (0;000) | ✗ | 27/01/17 |
K3SbS4 | ICSD | 41895 | I-43m (217) | ✗ | 8 | 56 | 1 | 2.2119 | 2.258 | 0.000 | (0;000) | ✗ | 06/10/16 |
YPt | ICSD | 649793 | Pmnb (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.000 | 0.599 | (1;011) | ✗ | 06/10/16 |
Ti3Ga | COD | 1523233 | P6_3/mmc (194) | ✔ | 8 | 98 | 3 | 0.0 | 0.000 | 0.551 | (1;000) | ✗ | 27/01/17 |
CaIn2Cu | COD | 1528108 | Cmcm (63) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.762 | (0;110) | ✗ | 27/01/17 |
GaSe | COD | 9008968 | P6_3/mmc (194) | ✔ | 8 | 76 | 2 | 1.1897 | 1.190 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaNbS2 | ICSD | 26285 | P6_3/mmc (194) | ✔ | 8 | 68 | 2 | 0.6029 | 1.331 | 0.000 | (0;000) | ✗ | 27/01/17 |
GaS | COD | 9008966 | P6_3/mmc (194) | ✔ | 8 | 76 | 2 | 1.5763 | 1.638 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na5LiN2 | ICSD | 92315 | C2 (5) | ✗ | 8 | 58 | 1 | 0.0 | 0.017 | 0.003 | (1;000) | ✔ | 06/10/16 |
Na5LiN2 | ICSD | 92316 | P1 (1) | ✗ | 8 | 58 | 3 | 0.0 | 0.039 | 0.116 | (0;000) | ✔ | 06/10/16 |
CaPbF6 | ICSD | 25522 | Fm-3m (225) | ✔ | 8 | 66 | 3 | 3.1951 | 3.195 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaPdF6 | ICSD | 26164 | R-3 (148) | ✔ | 8 | 70 | 1 | 2.28 | 2.280 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaPtF6 | ICSD | 37443 | R-3 (148) | ✔ | 8 | 62 | 1 | 2.8543 | 2.877 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaSiF6 | ICSD | 183914 | R-3 (148) | ✔ | 8 | 56 | 1 | 7.7957 | 7.796 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaNbSe2 | ICSD | 26287 | P6_3/mmc (194) | ✔ | 8 | 68 | 2 | 0.3899 | 1.123 | 0.000 | (0;000) | ✗ | 27/01/17 |
GaS | ICSD | 635254 | P6_3/mmc (194) | ✔ | 8 | 76 | 2 | 1.0343 | 1.618 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaSnF6 | ICSD | 35713 | Fm-3m (225) | ✔ | 8 | 66 | 1 | 6.1583 | 6.158 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaTiF6 | COD | 1533036 | R-3m (166) | ✔ | 8 | 64 | 3 | 3.9477 | 3.948 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb | ICSD | 109019 | Cmce (64) | ✔ | 8 | 72 | 3 | 0.0 | 0.019 | 0.537 | (1;110) | ✗ | 27/01/17 |
ZrGa | COD | 1522708 | I4_1/amd (141) | ✔ | 8 | 68 | 3 | 0.0 | 0.004 | 0.747 | (1;111) | ✗ | 27/01/17 |
MoF3 | ICSD | 26629 | R-3c (167) | ✔ | 8 | 70 | 3 | 0.0 | 0.001 | 0.311 | (0;000) | ✗ | 27/01/17 |
RbTe | ICSD | 83350 | Pbam (55) | ✔ | 8 | 60 | 1 | 0.795 | 0.875 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaGa2Ni | COD | 8103269 | Cmcm (63) | ✔ | 8 | 92 | 3 | 0.0 | 0.006 | 0.691 | (1;000) | ✗ | 27/01/17 |
ZrNi2Sb | ICSD | 162586 | P6_3/mmc (194) | ✔ | 8 | 58 | 3 | 0.0 | 0.000 | 0.882 | (0;000) | ✗ | 27/01/17 |
SnF3 | ICSD | 33786 | Fm-3m (225) | ✔ | 8 | 70 | 3 | 3.359 | 4.041 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiRh | ICSD | 108722 | Pmnb (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.001 | 0.174 | (0;011) | ✗ | 06/10/16 |
PdF3 | COD | 2310600 | R-3c (167) | ✔ | 8 | 78 | 3 | 0.0 | 0.000 | 0.662 | (0;000) | ✗ | 27/01/17 |
CaNiGe2 | ICSD | 240342 | Cmcm (63) | ✔ | 8 | 56 | 3 | 0.0 | 0.008 | 0.712 | (0;110) | ✗ | 27/01/17 |
CaNiGeH | ICSD | 263028 | P4/nmm (129) | ✔ | 8 | 50 | 1 | 0.0 | 0.000 | 0.741 | (1;000) | ✗ | 27/01/17 |
Ge | ICSD | 167204 | P6_3/mmc (194) | ✔ | 8 | 32 | 3 | 0.0 | 0.003 | 0.030 | (0;000) | ✗ | 27/01/17 |
ZrRh | ICSD | 105979 | Pmnb (62) | ✔ | 8 | 116 | 3 | 0.0 | 0.000 | 0.481 | (1;011) | ✗ | 06/10/16 |