▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
KCrO2 | ICSD | 425293 | P6_3/mmc (194) | ✔ | 8 | 70 | 2 | 0.0 | 0.000 | 0.918 | (0;000) | ✗ | 27/01/17 |
ReC | ICSD | 618702 | P6_3/mmc (194) | ✔ | 8 | 76 | 3 | 0.0 | 0.004 | 0.767 | (1;000) | ✗ | 27/01/17 |
Cr3Pt | COD | 1525151 | Pm-3n (223) | ✔ | 8 | 104 | 3 | 0.0 | 0.000 | 0.679 | (0;000) | ✗ | 27/01/17 |
Cr3Ga | COD | 1524415 | Pm-3n (223) | ✔ | 8 | 110 | 3 | 0.0 | 0.000 | 0.958 | (0;000) | ✗ | 27/01/17 |
TiCr2 | ICSD | 102851 | Fd-3m (227) | ✔ | 6 | 80 | 3 | 0.0 | 0.000 | 0.640 | (0;000) | ✗ | 27/01/17 |
RbBi2 | ICSD | 150969 | Fd-3m (227) | ✔ | 6 | 78 | 3 | 0.0 | 0.000 | 0.801 | (0;000) | ✗ | 02/02/17 |
CaAlF5 | COD | 1000300 | C2/c (15) | ✔ | 14 | 96 | 1 | 7.4033 | 7.403 | 0.000 | (0;000) | ✗ | 05/01/17 |
CaAlSiO4F | ICSD | 87663 | C2/c (15) | ✔ | 16 | 96 | 3 | 5.4487 | 5.449 | 0.000 | (0;000) | ✗ | 05/01/17 |
Al2O3 | ICSD | 82504 | C2/m (12) | ✔ | 10 | 48 | 3 | 4.5944 | 4.693 | 0.000 | (0;000) | ✗ | 06/10/16 |
AlCl3 | ICSD | 155670 | P-3m1 (164) | ✔ | 4 | 24 | 2 | 0.0 | 0.005 | 0.562 | (0;000) | ✗ | 05/01/17 |
AlClO | COD | 9009194 | Pmmn (59) | ✔ | 6 | 32 | 2 | 3.5066 | 3.673 | 0.000 | (0;000) | ✗ | 05/01/17 |
ZrCr2 | COD | 1525357 | P6_3/mmc (194) | ✔ | 12 | 128 | 3 | 0.0 | 0.001 | 0.731 | (1;000) | ✗ | 27/01/17 |
Sr2Cu2Ni(SO)2 | ICSD | 88424 | I4/mmm (139) | ✔ | 9 | 76 | 1 | 0.0 | 0.022 | 0.476 | (1;000) | ✗ | 22/03/17 |
Sr3Sc2Cu2S2O5 | ICSD | 88425 | I4/mmm (139) | ✔ | 14 | 116 | 1 | 1.5845 | 1.585 | 0.000 | (0;000) | ✗ | 22/03/17 |
Bi2Rh | ICSD | 43503 | P2_1/c (14) | ✔ | 12 | 188 | 3 | 0.0 | 0.014 | 0.221 | (0;101) | ✗ | 02/02/17 |
MnAlCo2 | ICSD | 606611 | Fm-3m (225) | ✔ | 4 | 52 | 3 | 0.0 | 0.007 | 0.260 | (0;000) | ✗ | 05/01/17 |
NbAlCo2 | ICSD | 606622 | Fm-3m (225) | ✔ | 4 | 50 | 3 | 0.0 | 0.000 | 0.686 | (1;000) | ✗ | 05/01/17 |
ZrCr2 | COD | 1524738 | Fd-3m (227) | ✔ | 6 | 64 | 3 | 0.0 | 0.000 | 0.629 | (0;000) | ✗ | 27/01/17 |
TaAlCo2 | ICSD | 57634 | Fm-3m (225) | ✔ | 4 | 50 | 3 | 0.0 | 0.000 | 0.645 | (1;000) | ✗ | 05/01/17 |
AlVCo2 | ICSD | 606704 | Fm-3m (225) | ✔ | 4 | 50 | 3 | 0.0 | 0.000 | 0.658 | (1;000) | ✗ | 05/01/17 |
Sr8In4Cu3N5 | ICSD | 96350 | Immm (71) | ✔ | 20 | 190 | 1 | 0.0 | 0.058 | 0.628 | (0;000) | ✗ | 22/03/17 |
YMn4(CuO4)3 | COD | 1008220 | Im3 (204) | ✔ | 20 | 176 | 3 | 0.0 | 0.000 | 0.657 | (0;000) | ✗ | 22/03/17 |
MnV4(CuO4)3 | ICSD | 250793 | Im3 (204) | ✔ | 20 | 172 | 3 | 0.0 | 0.000 | 0.624 | (1;111) | ✗ | 22/03/17 |
Cr3Os | COD | 1525450 | Pm-3n (223) | ✔ | 8 | 116 | 3 | 0.0 | 0.000 | 0.700 | (0;111) | ✗ | 27/01/17 |
Cr3Ir | COD | 1525149 | Pm-3n (223) | ✔ | 8 | 118 | 3 | 0.0 | 0.000 | 0.673 | (0;000) | ✗ | 27/01/17 |
Bi2S3 | ICSD | 153946 | Pmnb (62) | ✔ | 20 | 112 | 2 | 0.9478 | 0.980 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ti2Cu3 | COD | 1525232 | P4/nmm (129) | ✔ | 10 | 114 | 3 | 0.0 | 0.000 | 0.864 | (1;001) | ✗ | 22/03/17 |
CsAlO2 | ICSD | 28372 | Fd-3m (227) | ✔ | 8 | 48 | 3 | 4.8428 | 4.850 | 0.000 | (0;000) | ✗ | 05/01/17 |
MnAlCu2 | COD | 5910083 | Fm-3m (225) | ✔ | 4 | 40 | 3 | 0.0 | 0.031 | 0.192 | (1;000) | ✗ | 05/01/17 |
Zr3(Si3Cu2)2 | ICSD | 629244 | I4/mmm (139) | ✔ | 13 | 80 | 3 | 0.0 | 0.000 | 0.843 | (1;110) | ✗ | 22/03/17 |
TeI | ICSD | 108 | C2/m (12) | ✔ | 8 | 52 | 2 | 0.4247 | 0.727 | 0.000 | (0;000) | ✔ | 06/10/16 |
Al(ReCu)2 | ICSD | 57706 | P4/mbm (127) | ✔ | 10 | 110 | 3 | 0.0 | 0.000 | 0.822 | (1;000) | ✗ | 05/01/17 |
ScAlCu2 | ICSD | 57709 | Fm-3m (225) | ✔ | 4 | 36 | 3 | 0.0 | 0.015 | 0.236 | (1;000) | ✗ | 05/01/17 |
CuI | ICSD | 246690 | Cmcm (63) | ✔ | 4 | 36 | 3 | 0.0 | 0.172 | 0.164 | (0;000) | ✗ | 22/03/17 |
Cr3O | COD | 1528029 | Pm-3n (223) | ✔ | 8 | 96 | 3 | 0.0 | 0.009 | 0.762 | (1;000) | ✗ | 27/01/17 |
Bi2S3 | ICSD | 201066 | Pmcn (62) | ✔ | 20 | 112 | 2 | 0.9742 | 1.010 | 0.000 | (0;000) | ✗ | 06/10/16 |
AlCu3 | ICSD | 150823 | Fm-3m (225) | ✔ | 4 | 36 | 3 | 0.0 | 0.000 | 0.879 | (0;000) | ✗ | 05/01/17 |
CuI | COD | 9013921 | R-3m (166) | ✔ | 4 | 36 | 3 | 0.01 | 0.010 | 0.000 | (1;000) | ✗ | 22/03/17 |
CuI | COD | 9013923 | P4/nmm (129) | ✔ | 4 | 36 | 2 | 1.3057 | 1.306 | 0.000 | (0;000) | ✗ | 22/03/17 |
K2CuP | ICSD | 61082 | Cmcm (63) | ✔ | 8 | 68 | 1 | 1.118 | 1.194 | 0.000 | (0;000) | ✗ | 22/03/17 |
Li2CuSn2 | ICSD | 426084 | I4_1/amd (141) | ✔ | 10 | 90 | 3 | 0.0 | 0.000 | 0.933 | (1;111) | ✗ | 22/03/17 |
AlCu | ICSD | 653749 | C2/m (12) | ✔ | 10 | 70 | 3 | 0.0 | 0.007 | 0.723 | (0;110) | ✗ | 05/01/17 |
Cr3RhN | ICSD | 53143 | Pm-3m (221) | ✔ | 5 | 64 | 3 | 0.0 | 0.000 | 0.652 | (0;111) | ✗ | 27/01/17 |
KSb4F13 | COD | 5910285 | I4/m (87) | ✔ | 18 | 120 | 1 | 0.0 | 2.514 | 1.000 | (0;000) | ✗ | 22/03/17 |
RbSb4F13 | COD | 5910267 | I4/m (87) | ✔ | 18 | 120 | 1 | 2.4717 | 2.485 | 0.000 | (0;000) | ✗ | 22/03/17 |
AlCuO2 | ICSD | 188313 | R-3m (166) | ✔ | 4 | 26 | 3 | 1.9048 | 2.661 | 0.000 | (0;000) | ✗ | 05/01/17 |
AlCuO2 | COD | 1531583 | P6_3/mmc (194) | ✔ | 8 | 52 | 3 | 1.9892 | 2.478 | 0.000 | (0;000) | ✗ | 05/01/17 |
Re2C | ICSD | 180376 | P6_3/mmc (194) | ✔ | 6 | 68 | 3 | 0.0 | 0.017 | 0.656 | (1;000) | ✗ | 27/01/17 |
Cr3Si | COD | 1010032 | Pm-3n (223) | ✔ | 8 | 92 | 3 | 0.0 | 0.000 | 0.874 | (0;111) | ✗ | 27/01/17 |
Cr3Ru | ICSD | 659684 | Pm-3n (223) | ✔ | 8 | 116 | 3 | 0.0 | 0.000 | 0.658 | (0;111) | ✗ | 27/01/17 |
NaI(OF)2 | COD | 2016692 | Cmcm (63) | ✔ | 12 | 84 | 1 | 4.7043 | 4.786 | 0.000 | (0;000) | ✗ | 22/03/17 |
LiYF2 | COD | 2001129 | I4_1/a (88) | ✔ | 16 | 112 | 3 | 0.0 | 0.010 | 0.659 | (1;111) | ✗ | 22/03/17 |
NF2 | COD | 9016398 | Pmna (53) | ✔ | 12 | 76 | 1 | 0.0 | 0.004 | 0.376 | (1;011) | ✗ | 22/03/17 |
CO2 | ICSD | 188893 | Cmce (64) | ✔ | 6 | 32 | 1 | 0.8836 | 1.332 | 0.000 | (0;000) | ✗ | 27/01/17 |
AlCuPt2 | ICSD | 107788 | P4/mmm (123) | ✔ | 4 | 34 | 3 | 0.0 | 0.101 | 0.248 | (1;111) | ✗ | 05/01/17 |
Sr2Ti2Sb2OF2 | ICSD | 167014 | I4/mmm (139) | ✔ | 9 | 74 | 1 | 0.0 | 0.022 | 0.576 | (0;000) | ✗ | 22/03/17 |
AlH2PbO2F3 | ICSD | 79740 | P-1 (2) | ✔ | 18 | 104 | 2 | 4.138 | 4.338 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cr3Rh | ICSD | 626569 | Pm-3n (223) | ✔ | 8 | 118 | 3 | 0.0 | 0.000 | 0.741 | (0;000) | ✗ | 27/01/17 |
AlF3 | ICSD | 130021 | Pm-3m (221) | ✔ | 4 | 24 | 3 | 7.6687 | 8.500 | 0.000 | (0;000) | ✗ | 05/01/17 |
AlF3 | COD | 1000467 | R-3c (167) | ✔ | 8 | 48 | 3 | 8.0575 | 8.058 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cr3Se4 | COD | 1008921 | C2/m (12) | ✔ | 7 | 66 | 3 | 0.0 | 0.004 | 0.716 | (0;001) | ✗ | 27/01/17 |
BiSe | ICSD | 20458 | P-3m1 (164) | ✔ | 12 | 66 | 2 | 0.0 | 0.063 | 0.011 | (0;001) | ✗ | 06/10/16 |
KAlF4 | ICSD | 77913 | P4/mmm (123) | ✔ | 6 | 40 | 2 | 7.3093 | 7.704 | 0.000 | (0;000) | ✗ | 05/01/17 |
KAlF4 | COD | 1000207 | P4/mbm (127) | ✔ | 12 | 80 | 2 | 7.2718 | 7.309 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cr3S4 | COD | 9007442 | C2/m (12) | ✔ | 7 | 66 | 3 | 0.0 | 0.005 | 0.538 | (0;001) | ✗ | 27/01/17 |
NaAlF4 | ICSD | 20572 | P4/mmm (123) | ✔ | 6 | 40 | 2 | 6.0733 | 6.404 | 0.000 | (0;000) | ✗ | 05/01/17 |
NaAlF4 | COD | 1507767 | Cmcm (63) | ✔ | 12 | 80 | 1 | 6.625 | 6.625 | 0.000 | (0;000) | ✗ | 05/01/17 |
Li2MnF5 | COD | 1530560 | C2/c (15) | ✔ | 16 | 112 | 1 | 0.0 | 0.019 | 0.219 | (0;000) | ✗ | 22/03/17 |
CrCuO4 | ICSD | 183216 | Cmcm (63) | ✔ | 12 | 98 | 3 | 0.0 | 0.000 | 0.580 | (0;000) | ✗ | 27/01/17 |
Rb2LiFeF6 | ICSD | 16400 | R-3m (166) | ✔ | 20 | 142 | 1 | 0.0 | 0.021 | 0.178 | (0;000) | ✗ | 22/03/17 |
Cr3Te4 | ICSD | 626884 | C2/m (12) | ✔ | 7 | 66 | 3 | 0.0 | 0.009 | 0.299 | (0;000) | ✗ | 27/01/17 |
Bi2Se3 | ICSD | 165226 | R-3m (166) | ✔ | 5 | 28 | 2 | 0.2932 | 0.375 | 0.000 | (1;000) | ✗ | 06/10/16 |
AlNF4 | COD | 9016185 | I4/mcm (140) | ✔ | 12 | 72 | 2 | 0.0 | 0.002 | 0.137 | (0;000) | ✗ | 05/01/17 |
RbAlF4 | COD | 1000453 | P4/mmm (123) | ✔ | 6 | 40 | 2 | 7.1638 | 7.596 | 0.000 | (0;000) | ✗ | 05/01/17 |
Sr3(FeO3)2 | ICSD | 249014 | I4/mmm (139) | ✔ | 11 | 82 | 1 | 0.0 | 0.008 | 0.799 | (1;111) | ✗ | 22/03/17 |
Cr3Te4 | ICSD | 626873 | C2/m (12) | ✔ | 7 | 66 | 2 | 0.0 | 0.012 | 0.181 | (1;000) | ✗ | 27/01/17 |
RbAlF4 | COD | 1000454 | P4/mbm (127) | ✔ | 12 | 80 | 2 | 7.2538 | 7.349 | 0.000 | (0;000) | ✗ | 05/01/17 |
AlTlF4 | COD | 1000222 | P4/mmm (123) | ✔ | 6 | 44 | 2 | 4.0014 | 4.158 | 0.000 | (0;000) | ✗ | 05/01/17 |
K2RbMn2F7 | ICSD | 410707 | I4/mmm (139) | ✔ | 12 | 106 | 2 | 0.0 | 0.013 | 0.728 | (0;000) | ✗ | 22/03/17 |
K3Mn2F7 | ICSD | 33525 | I4/mmm (139) | ✔ | 12 | 106 | 2 | 0.0 | 0.014 | 0.728 | (0;000) | ✗ | 22/03/17 |
K3Ni2F7 | ICSD | 33523 | I4/mmm (139) | ✔ | 12 | 96 | 2 | 0.0 | 0.005 | 0.763 | (0;000) | ✗ | 22/03/17 |
K3Zn2F7 | COD | 1532738 | I4/mmm (139) | ✔ | 12 | 100 | 2 | 4.0551 | 5.518 | 0.000 | (0;000) | ✗ | 22/03/17 |
CrCuO2 | ICSD | 82065 | P6_3/mmc (194) | ✔ | 8 | 74 | 3 | 0.0 | 0.001 | 0.933 | (0;000) | ✗ | 27/01/17 |
Y2Ga2Fe15 | ICSD | 631854 | R-3m (166) | ✔ | 19 | 168 | 3 | 3.9297 | 0.021 | 1.000 | (0;000) | ✗ | 22/03/17 |
Y2Fe17 | ICSD | 634081 | R-3m (166) | ✔ | 19 | 158 | 3 | 0.1004 | 0.023 | 1.000 | (0;000) | ✗ | 22/03/17 |
Ga2Fe2S5 | ICSD | 32551 | R-3m (166) | ✔ | 9 | 72 | 2 | 0.1302 | 0.260 | 0.000 | (0;000) | ✗ | 22/03/17 |
Bi2Se3 | ICSD | 171571 | Pmnb (62) | ✔ | 20 | 112 | 2 | 0.5886 | 0.597 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr3Fe2O5 | ICSD | 420235 | Immm (71) | ✔ | 10 | 76 | 1 | 0.0 | 0.002 | 0.926 | (0;000) | ✗ | 22/03/17 |
Sr3Fe2O7 | ICSD | 163173 | I4/mmm (139) | ✔ | 12 | 88 | 2 | 0.0 | 0.008 | 0.952 | (0;000) | ✗ | 22/03/17 |
AlTlF4 | COD | 1000407 | I4/mcm (140) | ✔ | 12 | 88 | 2 | 4.0057 | 4.006 | 0.000 | (0;000) | ✗ | 05/01/17 |
AlTlF4 | COD | 1000410 | C2/c (15) | ✔ | 12 | 88 | 2 | 0.0 | 0.083 | 0.654 | (1;110) | ✗ | 05/01/17 |
Cs2CrF6 | ICSD | 29007 | Fm-3m (225) | ✔ | 9 | 74 | 1 | 0.0 | 0.000 | 0.343 | (0;000) | ✗ | 27/01/17 |
AlFeF5 | COD | 1000363 | Immm (71) | ✔ | 7 | 46 | 3 | 0.0 | 0.098 | 0.084 | (0;000) | ✗ | 05/01/17 |
Tl2Fe3S4 | ICSD | 633341 | Ibam (72) | ✔ | 18 | 148 | 2 | 0.0 | 0.004 | 1.000 | (0;100) | ✗ | 22/03/17 |
Fe4O5 | COD | 9014243 | Cmcm (63) | ✔ | 18 | 124 | 3 | 0.0 | 0.006 | 0.896 | (1;000) | ✗ | 22/03/17 |
Fe7Mo6 | COD | 1501463 | R-3m (166) | ✔ | 13 | 140 | 3 | 0.0 | 0.004 | 0.523 | (1;000) | ✗ | 22/03/17 |
Nb6Fe7 | ICSD | 188281 | R-3m (166) | ✔ | 13 | 134 | 3 | 0.0 | 0.004 | 0.486 | (1;000) | ✗ | 22/03/17 |
Ta6Fe7 | ICSD | 633791 | R-3m (166) | ✔ | 13 | 134 | 3 | 0.0 | 0.002 | 0.546 | (1;000) | ✗ | 22/03/17 |
K2AlF5 | COD | 1000479 | P4/mmm (123) | ✔ | 8 | 56 | 1 | 6.503 | 6.546 | 0.000 | (0;000) | ✗ | 05/01/17 |
CrHgO4 | ICSD | 416147 | Cmcm (63) | ✔ | 12 | 100 | 3 | 1.4079 | 1.427 | 0.000 | (0;000) | ✗ | 27/01/17 |