▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NiB | COD | 9008947 | Cmcm (63) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.399 | (0;110) | ✗ | 27/01/17 |
Al3(BRu2)2 | ICSD | 43844 | P4/mmm (123) | ✔ | 18 | 158 | 3 | 0.0 | 0.002 | 0.844 | (1;110) | ✗ | 30/01/17 |
GaSb | ICSD | 190426 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.0 | 0.008 | 0.010 | (0;000) | ✔ | 06/10/16 |
MnNiAs | ICSD | 610883 | P-62m (189) | ✗ | 9 | 90 | 3 | 0.0 | 0.000 | 0.687 | ? | ✗ | 06/10/16 |
Cs2NaAl3F12 | COD | 1000164 | R-3m (166) | ✔ | 18 | 120 | 3 | 0.4217 | 0.565 | 0.000 | (0;000) | ✗ | 30/01/17 |
BPt | COD | 1511304 | P6_3/mmc (194) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.556 | (1;000) | ✗ | 27/01/17 |
Hf5Al3 | ICSD | 57898 | P6_3/mcm (193) | ✔ | 16 | 138 | 3 | 0.0 | 0.000 | 0.887 | (0;000) | ✗ | 30/01/17 |
Hf5Al3N | ICSD | 603995 | P6_3/mcm (193) | ✔ | 18 | 148 | 3 | 0.0 | 0.006 | 0.541 | (1;000) | ✗ | 30/01/17 |
TiFeO3 | COD | 9000908 | R-3 (148) | ✔ | 10 | 76 | 3 | 0.0976 | 0.174 | 0.000 | (0;000) | ✗ | 27/01/17 |
Al3Ni | ICSD | 58040 | Pnma (62) | ✔ | 16 | 76 | 3 | 0.0 | 0.000 | 0.540 | (1;001) | ✗ | 30/01/17 |
YAl3Ni | ICSD | 160939 | Pnma (62) | ✔ | 20 | 120 | 3 | 0.0 | 0.011 | 0.903 | (0;000) | ✗ | 30/01/17 |
Al3Pt5 | ICSD | 656681 | Pbam (55) | ✔ | 16 | 118 | 3 | 0.0 | 0.000 | 0.940 | (1;100) | ✗ | 30/01/17 |
Sc2Al3Ru | ICSD | 58159 | P6_3/mmc (194) | ✔ | 12 | 94 | 3 | 0.0 | 0.000 | 0.750 | (1;000) | ✗ | 30/01/17 |
Ta5Al3 | ICSD | 609439 | P6_3/mcm (193) | ✔ | 16 | 148 | 3 | 0.0 | 0.002 | 0.870 | (0;000) | ✗ | 30/01/17 |
Y5Al3 | ICSD | 603810 | P6_3/mcm (193) | ✔ | 16 | 128 | 3 | 0.0 | 0.001 | 0.354 | (1;000) | ✗ | 30/01/17 |
YAl3 | ICSD | 609658 | R-3m (166) | ✔ | 12 | 60 | 3 | 0.0 | 0.007 | 0.516 | (1;000) | ✗ | 30/01/17 |
Zr5Al3 | ICSD | 58236 | I4/mcm (140) | ✔ | 16 | 58 | 3 | 0.0 | 0.000 | 0.691 | (1;000) | ✗ | 30/01/17 |
Zr5Al3 | ICSD | 609718 | P6_3/mcm (193) | ✔ | 16 | 58 | 3 | 0.0 | 0.000 | 0.949 | (1;000) | ✗ | 30/01/17 |
Mg2Al4Zn3 | ICSD | 180365 | P6_3/mmc (194) | ✔ | 18 | 136 | 3 | 0.0 | 0.018 | 0.743 | (1;000) | ✗ | 30/01/17 |
YAl4Ni | ICSD | 608951 | Cmcm (63) | ✔ | 12 | 66 | 3 | 0.0 | 0.000 | 0.918 | (1;000) | ✗ | 30/01/17 |
Zr5Al4 | ICSD | 191012 | P6_3/mcm (193) | ✔ | 18 | 64 | 3 | 0.0 | 0.000 | 0.685 | (1;000) | ✗ | 30/01/17 |
MnNiAs | ICSD | 610888 | P-62m (189) | ✗ | 9 | 90 | 3 | 0.0 | 0.000 | 0.687 | ? | ✗ | 06/10/16 |
BPt | COD | 9008910 | P6_3/mmc (194) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.822 | (0;000) | ✗ | 27/01/17 |
Al6Fe | ICSD | 607497 | Cmcm (63) | ✔ | 14 | 52 | 3 | 0.0 | 0.003 | 0.288 | (0;110) | ✗ | 30/01/17 |
MnAl6 | ICSD | 57972 | Cmcm (63) | ✔ | 14 | 66 | 3 | 0.0 | 0.000 | 0.617 | (1;000) | ✗ | 30/01/17 |
Al6Re | ICSD | 58149 | Cmcm (63) | ✔ | 14 | 66 | 3 | 0.0 | 0.000 | 0.578 | (1;000) | ✗ | 30/01/17 |
Al6Ru | ICSD | 58157 | Cmcm (63) | ✔ | 14 | 68 | 3 | 0.0 | 0.027 | 0.280 | (0;110) | ✗ | 30/01/17 |
Al6Tc | ICSD | 58177 | Cmcm (63) | ✔ | 14 | 66 | 3 | 0.0 | 0.000 | 1.000 | (1;000) | ✗ | 30/01/17 |
Ca(Al2Cu)4 | ICSD | 57539 | I4/mmm (139) | ✔ | 13 | 78 | 3 | 0.0 | 0.003 | 0.521 | (1;111) | ✗ | 30/01/17 |
Ca(MnAl2)4 | ICSD | 57545 | I4/mmm (139) | ✔ | 13 | 94 | 3 | 0.0 | 0.004 | 0.728 | (0;111) | ✗ | 30/01/17 |
CsBr | COD | 9009744 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 0.0 | 0.014 | 0.590 | (1;000) | ✗ | 27/01/17 |
MnAsPd | ICSD | 610906 | P-62m (189) | ✗ | 9 | 90 | 3 | 0.0 | 0.000 | 0.655 | ? | ✗ | 06/10/16 |
CaAlAu | ICSD | 370015 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.022 | 0.395 | (1;000) | ✗ | 30/01/17 |
YAlAu | ICSD | 602610 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.002 | 0.848 | (0;011) | ✗ | 30/01/17 |
Mg2AlB2Ir5 | ICSD | 606101 | P4/mbm (127) | ✔ | 20 | 228 | 3 | 0.0 | 0.011 | 0.847 | (0;001) | ✗ | 30/01/17 |
CuBr | COD | 9013935 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 1.451 | 0.044 | (0;000) | ✗ | 27/01/17 |
KBr | ICSD | 290557 | Pm-3m (221) | ✔ | 2 | 16 | 3 | 2.0789 | 2.113 | 0.000 | (0;000) | ✗ | 27/01/17 |
VFeO4 | ICSD | 82161 | Cmcm (63) | ✔ | 12 | 90 | 3 | 0.0 | 0.000 | 0.500 | (0;000) | ✗ | 27/01/17 |
Ca2AlPd2 | COD | 4002146 | C2/c (15) | ✔ | 10 | 118 | 3 | 0.0 | 0.000 | 0.504 | (0;011) | ✗ | 30/01/17 |
Ca2AlPt2 | COD | 4002147 | C2/c (15) | ✔ | 10 | 86 | 3 | 0.0 | 0.000 | 0.347 | (0;101) | ✗ | 30/01/17 |
Hf2Cd | ICSD | 619965 | I4/mmm (139) | ✔ | 3 | 36 | 3 | 0.0 | 0.097 | 0.496 | (0;111) | ✗ | 27/01/17 |
LiCd | ICSD | 102008 | Fd-3m (227) | ✔ | 4 | 30 | 3 | 0.0 | 0.000 | 0.838 | (0;000) | ✗ | 27/01/17 |
BiF3 | ICSD | 25567 | P-43m (215) | ✗ | 16 | 104 | 3 | 2.8752 | 2.876 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaTaAlO5 | ICSD | 50718 | C2/c (15) | ✔ | 16 | 112 | 3 | 3.8797 | 3.978 | 0.000 | (0;000) | ✗ | 30/01/17 |
VB | COD | 2310100 | Cmcm (63) | ✔ | 4 | 32 | 3 | 0.0 | 0.019 | 0.325 | (1;000) | ✗ | 27/01/17 |
CaAlPt | COD | 2230981 | Pnma (62) | ✔ | 12 | 92 | 3 | 0.0 | 0.006 | 0.883 | (0;011) | ✗ | 30/01/17 |
MnAsPd | ICSD | 610909 | P-62m (189) | ✗ | 9 | 90 | 3 | 0.0 | 0.000 | 0.659 | ? | ✗ | 06/10/16 |
Mg3Cd | COD | 4123952 | P6_3/mmc (194) | ✔ | 8 | 84 | 3 | 0.0 | 0.016 | 0.588 | (1;000) | ✗ | 27/01/17 |
Ca | ICSD | 168757 | Pnma (62) | ✔ | 4 | 40 | 3 | 0.0 | 0.012 | 0.267 | (1;000) | ✗ | 27/01/17 |
MnAsRu | ICSD | 44004 | P-62m (189) | ✗ | 9 | 108 | 3 | 0.0 | 0.000 | 0.431 | ? | ✗ | 06/10/16 |
KCd(NO2)3 | COD | 1010352 | Pm3 (200) | ✔ | 11 | 72 | 3 | 0.0 | 0.000 | 0.819 | (0;000) | ✗ | 27/01/17 |
CrSe | ICSD | 24792 | P6_3/mmc (194) | ✔ | 4 | 40 | 3 | 0.0 | 0.000 | 0.586 | (1;000) | ✔ | 06/10/16 |
MnAsRu | ICSD | 601489 | P-62m (189) | ✗ | 9 | 108 | 3 | 0.0 | 0.000 | 0.404 | ? | ✗ | 06/10/16 |
CaSiO3 | ICSD | 240411 | Pm-3m (221) | ✔ | 5 | 32 | 3 | 5.0875 | 6.198 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2CdPb | COD | 1525238 | Fm-3m (225) | ✔ | 4 | 32 | 3 | 0.0 | 0.000 | 0.584 | (0;000) | ✗ | 27/01/17 |
MnAsRu | ICSD | 610918 | P-62m (189) | ✗ | 9 | 108 | 3 | 0.0 | 0.000 | 0.448 | ? | ✗ | 06/10/16 |
Li2CdSn | ICSD | 108223 | Fm-3m (225) | ✔ | 4 | 32 | 3 | 0.0 | 0.000 | 0.546 | (0;000) | ✗ | 27/01/17 |
V2FeO4 | COD | 9012329 | Fd-3m (227) | ✔ | 14 | 116 | 3 | 0.0 | 0.004 | 0.451 | (0;000) | ✗ | 27/01/17 |
HfCd | ICSD | 619964 | P4/nmm (129) | ✔ | 4 | 48 | 3 | 0.0 | 0.022 | 0.254 | (0;000) | ✗ | 27/01/17 |
CdHgO2 | COD | 2002689 | C2/m (12) | ✔ | 4 | 36 | 3 | 0.8009 | 0.840 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaTe | ICSD | 52792 | Pm-3m (221) | ✔ | 2 | 16 | 3 | 0.0 | 0.005 | 0.125 | (1;000) | ✗ | 27/01/17 |
TiMnAs | ICSD | 610927 | P-62m (189) | ✗ | 9 | 96 | 3 | 0.0 | 0.000 | 0.763 | ? | ✗ | 06/10/16 |
TiCdHg2 | ICSD | 58987 | P4/mmm (123) | ✔ | 4 | 48 | 3 | 0.0 | 0.011 | 0.583 | (0;000) | ✗ | 27/01/17 |
CrC | ICSD | 57008 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.000 | 0.677 | (1;000) | ✗ | 27/01/17 |
CdF2 | COD | 9009006 | Fm-3m (225) | ✔ | 3 | 26 | 3 | 3.0777 | 3.498 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgAlSi | ICSD | 153548 | Pnma (62) | ✔ | 12 | 68 | 3 | 0.0 | 0.000 | 0.549 | (0;011) | ✗ | 30/01/17 |
CdHg2 | ICSD | 58982 | I4/mmm (139) | ✔ | 3 | 36 | 3 | 0.0 | 0.036 | 0.602 | (1;000) | ✗ | 27/01/17 |
NiAsS | ICSD | 20309 | P2_13 (198) | ✗ | 12 | 84 | 3 | 0.0 | 0.000 | 0.633 | ? | ✗ | 06/10/16 |
Rb3AlO3 | ICSD | 74969 | C2/m (12) | ✔ | 14 | 96 | 3 | 2.8352 | 2.835 | 0.000 | (0;000) | ✗ | 30/01/17 |
YAlO3 | COD | 1533069 | Pnma (62) | ✔ | 20 | 128 | 3 | 5.6486 | 5.665 | 0.000 | (0;000) | ✗ | 30/01/17 |
AlSiP3 | ICSD | 10032 | Pnma (62) | ✔ | 20 | 88 | 3 | 0.276 | 1.258 | 0.000 | (0;000) | ✗ | 30/01/17 |
Zr5AlPb3 | ICSD | 604194 | P6_3/mcm (193) | ✔ | 18 | 130 | 3 | 0.0 | 0.000 | 0.794 | (1;000) | ✗ | 30/01/17 |
YAlPd | ICSD | 609063 | Pnma (62) | ✔ | 12 | 128 | 3 | 0.0 | 0.020 | 0.404 | (1;000) | ✗ | 30/01/17 |
AlPt3 | ICSD | 107439 | P4/mbm (127) | ✔ | 8 | 66 | 3 | 0.0 | 0.000 | 0.715 | (1;001) | ✗ | 30/01/17 |
AlPt3 | ICSD | 656679 | I4/mcm (140) | ✔ | 8 | 66 | 3 | 0.0 | 0.001 | 0.579 | (0;111) | ✗ | 30/01/17 |
YAlPt | ICSD | 609165 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.048 | 0.476 | (1;000) | ✗ | 30/01/17 |
CdO | COD | 9006677 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 1.039 | 0.074 | (0;000) | ✗ | 27/01/17 |
Zr5AlSb3 | ICSD | 609294 | P6_3/mcm (193) | ✔ | 18 | 76 | 3 | 0.0 | 0.004 | 0.314 | (1;000) | ✗ | 30/01/17 |
CdPd | COD | 1524979 | P4/mmm (123) | ✔ | 2 | 30 | 3 | 0.0 | 0.001 | 0.577 | (1;000) | ✗ | 27/01/17 |
NiAsS | ICSD | 53937 | P2_13 (198) | ✗ | 12 | 84 | 3 | 0.0 | 0.000 | 0.596 | ? | ✗ | 06/10/16 |
Zr5AlSn3 | COD | 4002357 | P6_3/mcm (193) | ✔ | 18 | 130 | 3 | 0.0 | 0.000 | 0.755 | (1;000) | ✗ | 30/01/17 |
Y2Al | ICSD | 58211 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.000 | 0.573 | (0;011) | ✗ | 30/01/17 |
HfC | COD | 9008641 | Fm-3m (225) | ✔ | 2 | 16 | 3 | 0.0 | 0.117 | 0.150 | (1;000) | ✗ | 27/01/17 |
CuCl | COD | 9013928 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.5958 | 1.809 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeSiRu2 | ICSD | 633246 | Fm-3m (225) | ✔ | 4 | 44 | 3 | 0.0 | 0.013 | 0.520 | (0;000) | ✗ | 27/01/17 |
TaFeP | ICSD | 633105 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.016 | 0.164 | (0;000) | ✗ | 27/01/17 |
Fe(SbO3)2 | ICSD | 40344 | P4_2/mnm (136) | ✔ | 18 | 108 | 3 | 0.0 | 0.012 | 0.041 | (0;000) | ✗ | 27/01/17 |
Li2CdGe | ICSD | 52803 | Fm-3m (225) | ✔ | 4 | 22 | 3 | 0.0 | 0.000 | 0.515 | (0;000) | ✗ | 27/01/17 |
Ba(ZnAs)2 | COD | 7221354 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.1744 | 0.174 | 0.000 | (0;000) | ✗ | 30/01/17 |
HfBe | ICSD | 616286 | Cmcm (63) | ✔ | 4 | 32 | 3 | 0.0 | 0.043 | 0.661 | (0;000) | ✗ | 05/01/17 |
NiAsS | ICSD | 93899 | P2_13 (198) | ✗ | 12 | 84 | 3 | 0.0 | 0.000 | 0.615 | ? | ✗ | 06/10/16 |
NaCl | COD | 2104025 | Pm-3m (221) | ✔ | 2 | 16 | 3 | 4.381 | 4.381 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ga2O3 | ICSD | 166198 | C2/m (12) | ✔ | 10 | 88 | 3 | 2.4727 | 2.475 | 0.000 | (0;000) | ✗ | 06/10/16 |
MoC | ICSD | 618302 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.000 | 0.580 | (1;000) | ✗ | 27/01/17 |
NiAsSe | ICSD | 93901 | P2_13 (198) | ✗ | 12 | 84 | 3 | 0.0 | 0.000 | 0.690 | ? | ✗ | 06/10/16 |
SiW3 | ICSD | 52476 | Im-3m (229) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.820 | (0;000) | ✗ | 27/01/17 |
CdGeP2 | ICSD | 52804 | Fm-3m (225) | ✔ | 4 | 26 | 3 | 0.0 | 0.019 | 0.517 | (1;000) | ✗ | 27/01/17 |
CdGe2O5 | ICSD | 23039 | P-1 (2) | ✔ | 16 | 100 | 3 | 1.8665 | 2.017 | 0.000 | (0;000) | ✗ | 27/01/17 |
AsPd3Pb2 | ICSD | 106267 | Cmc2_1 (36) | ✗ | 12 | 126 | 3 | 0.0 | 0.000 | 0.783 | ? | ✗ | 06/10/16 |
Sr(GaAs)2 | ICSD | 422527 | P2/m (10) | ✔ | 20 | 184 | 3 | 0.2417 | 0.242 | 0.000 | (0;000) | ✗ | 30/01/17 |