▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cu2ClO3 | COD | 9004404 | P2_1/c (14) | ✔ | 24 | 188 | 3 | 0.0 | 0.004 | 0.717 | (1;010) | ✗ | 04/08/17 |
LiNbO3 | ICSD | 109458 | R3c (161) | ✗ | 10 | 68 | 3 | 3.5701 | 3.633 | 0.000 | (0;000) | ✗ | 06/10/16 |
Rb | ICSD | 109019 | Cmce (64) | ✔ | 8 | 72 | 3 | 0.0 | 0.019 | 0.537 | (1;110) | ✗ | 27/01/17 |
Sn2ClF3 | COD | 4031432 | P2_12_12_1 (19) | ✗ | 24 | 224 | 3 | 3.5136 | 3.539 | 0.000 | (0;000) | ✗ | 04/08/17 |
P2Ir | ICSD | 174222 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.7499 | 1.526 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbSiIr | ICSD | 411882 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.034 | 0.117 | (0;000) | ✗ | 27/01/17 |
Ca(FeSi)2 | ICSD | 425467 | I4/mmm (139) | ✔ | 5 | 34 | 3 | 0.0 | 0.011 | 0.645 | (1;000) | ✗ | 27/01/17 |
LiNbO3 | ICSD | 155360 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4643 | 3.506 | 0.000 | (0;000) | ✗ | 06/10/16 |
IrO2 | COD | 5910069 | P4_2/mnm (136) | ✔ | 6 | 58 | 3 | 0.0 | 0.000 | 0.597 | (0;000) | ✗ | 27/01/17 |
Ag2CO3 | COD | 1007035 | P2_1/m (11) | ✔ | 12 | 88 | 3 | 0.6496 | 1.356 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiNbO3 | ICSD | 155361 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4414 | 3.465 | 0.000 | (0;000) | ✗ | 06/10/16 |
SiIr | COD | 1527672 | Pnma (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.002 | 0.353 | (0;011) | ✗ | 27/01/17 |
SbIr | ICSD | 44481 | P6_3/mmc (194) | ✔ | 4 | 44 | 3 | 0.0 | 0.006 | 0.557 | (1;000) | ✗ | 27/01/17 |
ZnS | ICSD | 108733 | F-43m (216) | ✗ | 2 | 18 | 3 | 2.0623 | 2.062 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiNbO3 | ICSD | 164260 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4367 | 3.460 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaGa2Ni | COD | 8103269 | Cmcm (63) | ✔ | 8 | 92 | 3 | 0.0 | 0.006 | 0.691 | (1;000) | ✗ | 27/01/17 |
LiNbO3 | ICSD | 164933 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4522 | 3.474 | 0.000 | (0;000) | ✗ | 06/10/16 |
Re2Mo3C | ICSD | 618337 | P4_132 (213) | ✗ | 24 | 304 | 3 | 0.0 | 0.000 | 0.729 | ? | ✗ | 04/08/17 |
CaGa3Ni2 | ICSD | 58898 | Cmcm (63) | ✔ | 12 | 138 | 3 | 0.0 | 0.000 | 0.886 | (0;110) | ✗ | 27/01/17 |
CaGa4 | ICSD | 58892 | I4/mmm (139) | ✔ | 5 | 62 | 3 | 0.0 | 0.002 | 0.293 | (1;000) | ✗ | 27/01/17 |
Mg3Ga7Co2 | ICSD | 157364 | C2/c (15) | ✔ | 24 | 310 | 3 | 0.0 | 0.000 | 0.696 | (0;101) | ✗ | 04/08/17 |
Si3Ir | ICSD | 43418 | P6_3/mmc (194) | ✔ | 8 | 58 | 3 | 0.0 | 0.000 | 0.780 | (0;000) | ✗ | 27/01/17 |
CO2 | ICSD | 188892 | P2_12_12_1 (19) | ✗ | 24 | 128 | 3 | 3.1567 | 3.185 | 0.000 | (0;000) | ✗ | 04/08/17 |
Co2Mo3N | COD | 1532001 | P4_132 (213) | ✗ | 24 | 324 | 3 | 0.0 | 0.000 | 0.583 | ? | ✗ | 04/08/17 |
NbCo2 | ICSD | 624286 | P6_3/mmc (194) | ✔ | 24 | 376 | 3 | 0.0 | 0.004 | 0.809 | (1;000) | ✗ | 04/08/17 |
TaCo2 | ICSD | 625325 | P6_3/mmc (194) | ✔ | 24 | 376 | 3 | 0.0 | 0.000 | 0.793 | (0;000) | ✗ | 04/08/17 |
NbCo3 | ICSD | 150944 | P6_3mc (186) | ✗ | 24 | 384 | 3 | 0.0 | 0.000 | 0.801 | ? | ✗ | 04/08/17 |
ScSiIr | ICSD | 640977 | Pnma (62) | ✔ | 12 | 128 | 3 | 0.0 | 0.046 | 0.298 | (1;000) | ✗ | 27/01/17 |
LiYF4 | COD | 1531438 | C2/c (15) | ✔ | 12 | 84 | 3 | 7.555 | 7.555 | 0.000 | (0;000) | ✗ | 27/01/17 |
VCo3 | ICSD | 625533 | P6_3/mmc (194) | ✔ | 24 | 384 | 3 | 0.0 | 0.002 | 0.988 | (1;000) | ✗ | 04/08/17 |
ScIr | ICSD | 657998 | Pm-3m (221) | ✔ | 2 | 28 | 3 | 0.0 | 0.021 | 0.210 | (1;000) | ✗ | 27/01/17 |
CoGeTe | ICSD | 419780 | Pbca (61) | ✔ | 24 | 216 | 3 | 0.0 | 0.094 | 0.011 | (0;000) | ✗ | 04/08/17 |
LiYF4 | COD | 1531435 | I4_1/a (88) | ✔ | 12 | 84 | 3 | 8.7447 | 8.766 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiNbO3 | ICSD | 167130 | R3c (161) | ✗ | 10 | 68 | 3 | 3.0567 | 3.070 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li6CoO4 | ICSD | 62688 | P4_2/nmc (137) | ✔ | 22 | 118 | 3 | 0.0 | 0.000 | 0.950 | (1;000) | ✗ | 04/08/17 |
MnCoSb | ICSD | 157563 | Fm-3m (225) | ✔ | 24 | 296 | 3 | 0.0 | 0.000 | 0.727 | (1;000) | ✗ | 04/08/17 |
CoMoO4 | ICSD | 23808 | C2/m (12) | ✔ | 24 | 220 | 3 | 0.0 | 0.006 | 0.690 | (1;000) | ✗ | 04/08/17 |
LiScF4 | ICSD | 413966 | I4_1/a (88) | ✔ | 12 | 84 | 3 | 6.3135 | 6.319 | 0.000 | (0;000) | ✗ | 27/01/17 |
K3SbO4 | COD | 2012333 | P2/c (13) | ✔ | 16 | 112 | 3 | 2.5564 | 2.613 | 0.000 | (0;000) | ✗ | 27/01/17 |
CoPO4 | COD | 1529153 | Pnma (62) | ✔ | 24 | 184 | 3 | 0.0 | 0.061 | 0.041 | (0;000) | ✗ | 04/08/17 |
CoSeO4 | ICSD | 25699 | Pnma (62) | ✔ | 24 | 188 | 3 | 0.0 | 0.000 | 0.436 | (0;101) | ✗ | 04/08/17 |
CoPSe | ICSD | 624624 | Pbca (61) | ✔ | 24 | 224 | 3 | 0.2418 | 0.316 | 0.000 | (0;000) | ✗ | 04/08/17 |
CoSbS | COD | 9004094 | Pbca (61) | ✔ | 24 | 224 | 3 | 0.3684 | 0.396 | 0.000 | (0;000) | ✗ | 04/08/17 |
CoSbS | ICSD | 624863 | Pbca (61) | ✔ | 24 | 224 | 3 | 0.2044 | 0.263 | 0.000 | (0;000) | ✗ | 04/08/17 |
HfCr2 | ICSD | 626144 | P6_3/mmc (194) | ✔ | 24 | 320 | 3 | 0.0 | 0.002 | 0.970 | (1;000) | ✗ | 04/08/17 |
TiCr2 | COD | 1525360 | P6_3/mmc (194) | ✔ | 24 | 320 | 3 | 0.0 | 0.002 | 0.951 | (1;000) | ✗ | 04/08/17 |
ZrCr2 | ICSD | 108159 | P6_3/mmc (194) | ✔ | 24 | 256 | 3 | 0.0 | 0.002 | 0.932 | (1;000) | ✗ | 04/08/17 |
Re2W3C | ICSD | 77384 | P4_132 (213) | ✗ | 24 | 472 | 3 | 0.0 | 0.001 | 0.702 | ? | ✗ | 04/08/17 |
IrW | COD | 1523681 | Pmma (51) | ✔ | 4 | 62 | 3 | 0.0 | 0.000 | 0.984 | (0;101) | ✗ | 27/01/17 |
TeIr | COD | 9008897 | P6_3/mmc (194) | ✔ | 4 | 46 | 3 | 0.0 | 0.000 | 0.772 | (0;000) | ✗ | 27/01/17 |
PdPbF4 | ICSD | 108992 | I4/mcm (140) | ✔ | 12 | 120 | 3 | 0.9568 | 1.005 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cr(HO)2 | COD | 9015967 | Pnnm (58) | ✔ | 10 | 56 | 3 | 0.0 | 0.001 | 0.376 | (0;000) | ✗ | 04/08/17 |
CrHg5O6 | COD | 9004355 | C2/c (15) | ✔ | 24 | 220 | 3 | 1.055 | 1.166 | 0.000 | (0;000) | ✗ | 04/08/17 |
CrHgO4 | ICSD | 2224 | P2_1/c (14) | ✔ | 24 | 200 | 3 | 1.7041 | 1.705 | 0.000 | (0;000) | ✗ | 04/08/17 |
MgCrO4 | COD | 1008086 | C2/m (12) | ✔ | 24 | 192 | 3 | 2.5602 | 2.610 | 0.000 | (0;000) | ✗ | 04/08/17 |
CrPbO4 | COD | 9007486 | P2_1/c (14) | ✔ | 24 | 208 | 3 | 1.8083 | 1.903 | 0.000 | (0;000) | ✗ | 04/08/17 |
CrPbO4 | COD | 9009515 | Pnma (62) | ✔ | 24 | 208 | 3 | 2.2197 | 2.237 | 0.000 | (0;000) | ✗ | 04/08/17 |
CrWO4 | ICSD | 36213 | F222 (22) | ✗ | 24 | 264 | 3 | 0.0 | 0.000 | 0.694 | ? | ✗ | 04/08/17 |
CrSbPt | ICSD | 626558 | P2_13 (198) | ✗ | 12 | 116 | 3 | 0.0 | 0.000 | 0.335 | ? | ✗ | 04/08/17 |
Cs2Sb | COD | 1526333 | Pnma (62) | ✔ | 24 | 184 | 3 | 0.3786 | 0.493 | 0.000 | (0;000) | ✗ | 04/08/17 |
ZnS | ICSD | 184810 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 2.4085 | 2.409 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiNbO3 | ICSD | 169695 | R3c (161) | ✗ | 10 | 68 | 3 | 3.429 | 3.550 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca(GeIr)2 | ICSD | 52755 | I4/mmm (139) | ✔ | 5 | 52 | 3 | 0.0 | 0.072 | 0.573 | (1;111) | ✗ | 27/01/17 |
Ca(MnGe)2 | ICSD | 81743 | I4/mmm (139) | ✔ | 5 | 48 | 3 | 0.0 | 0.001 | 0.817 | (1;000) | ✗ | 27/01/17 |
LiNbO3 | ICSD | 169696 | R3c (161) | ✗ | 10 | 68 | 3 | 3.0848 | 3.185 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca(NiGe)2 | ICSD | 408 | I4/mmm (139) | ✔ | 5 | 38 | 3 | 0.0 | 0.011 | 0.725 | (0;111) | ✗ | 27/01/17 |
CaNiGe2 | ICSD | 240342 | Cmcm (63) | ✔ | 8 | 56 | 3 | 0.0 | 0.008 | 0.712 | (0;110) | ✗ | 27/01/17 |
SiRh | ICSD | 108722 | Pmnb (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.001 | 0.174 | (0;011) | ✗ | 06/10/16 |
LiNbO3 | ICSD | 169697 | R3c (161) | ✗ | 10 | 68 | 3 | 2.9964 | 3.103 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaGe2O5 | COD | 8103645 | P-1 (2) | ✔ | 16 | 96 | 3 | 2.9045 | 2.938 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca(GePd)2 | ICSD | 52759 | I4/mmm (139) | ✔ | 5 | 54 | 3 | 0.0 | 0.005 | 0.701 | (0;000) | ✗ | 27/01/17 |
LiNbO3 | ICSD | 247734 | R3c (161) | ✗ | 10 | 68 | 3 | 3.7912 | 3.902 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca(GeRh)2 | ICSD | 52760 | I4/mmm (139) | ✔ | 5 | 52 | 3 | 0.0 | 0.013 | 0.621 | (1;111) | ✗ | 27/01/17 |
Ca(GeRu)2 | ICSD | 52761 | I4/mmm (139) | ✔ | 5 | 50 | 3 | 0.0 | 0.002 | 0.499 | (1;000) | ✗ | 27/01/17 |
Cu3P | COD | 1010037 | P-3c1 (165) | ✔ | 24 | 228 | 3 | 0.0 | 0.003 | 0.377 | (1;000) | ✗ | 04/08/17 |
Cu3P | COD | 4105295 | P6_3cm (185) | ✗ | 24 | 228 | 3 | 0.0 | 0.005 | 0.232 | ? | ✗ | 04/08/17 |
Te2Ir | COD | 1526500 | P4_2/mnm (136) | ✔ | 6 | 58 | 3 | 0.0 | 0.000 | 0.870 | (0;111) | ✗ | 27/01/17 |
NaCu5S3 | ICSD | 61514 | P6_322 (182) | ✗ | 18 | 164 | 3 | 0.0 | 0.000 | 0.127 | ? | ✗ | 04/08/17 |
Cu7Te4 | ICSD | 43048 | P3m1 (156) | ✗ | 22 | 202 | 3 | 0.0 | 0.001 | 0.726 | ? | ✗ | 04/08/17 |
YMg2Cu9 | ICSD | 245208 | P6_3/mmc (194) | ✔ | 24 | 260 | 3 | 0.0 | 0.002 | 0.515 | (1;000) | ✗ | 04/08/17 |
Fe2CuS3 | COD | 9000065 | Pnma (62) | ✔ | 24 | 180 | 3 | 0.0 | 0.000 | 0.457 | (1;110) | ✗ | 04/08/17 |
Fe2CuS3 | ICSD | 159383 | Pnma (62) | ✔ | 24 | 180 | 3 | 0.0 | 0.000 | 0.594 | (1;110) | ✗ | 04/08/17 |
Tl2CuI3 | ICSD | 65962 | Pnnm (58) | ✔ | 24 | 232 | 3 | 1.2036 | 1.204 | 0.000 | (0;000) | ✗ | 04/08/17 |
NiPtF6 | ICSD | 37448 | R-3 (148) | ✔ | 8 | 62 | 3 | 0.0 | 0.002 | 0.461 | (0;000) | ✗ | 27/01/17 |
CuMoO4 | ICSD | 190443 | P-1 (2) | ✔ | 24 | 196 | 3 | 0.0 | 0.022 | 0.740 | (0;000) | ✗ | 04/08/17 |
Rb3CuO2 | ICSD | 65446 | P2_1/c (14) | ✔ | 24 | 200 | 3 | 1.4636 | 1.467 | 0.000 | (0;000) | ✗ | 04/08/17 |
CuSO4 | COD | 9009830 | Pnma (62) | ✔ | 24 | 164 | 3 | 0.0 | 0.000 | 0.272 | (0;101) | ✗ | 04/08/17 |
CuSeO4 | ICSD | 109069 | Pnma (62) | ✔ | 24 | 164 | 3 | 0.0 | 0.000 | 0.314 | (0;101) | ✗ | 04/08/17 |
CuTeO4 | COD | 2106504 | P2_1/c (14) | ✔ | 24 | 164 | 3 | 0.0 | 0.011 | 0.424 | (0;000) | ✗ | 04/08/17 |
VRh | ICSD | 169386 | Cmmm (65) | ✔ | 4 | 60 | 3 | 0.0 | 0.013 | 0.551 | (0;111) | ✗ | 27/01/17 |
Ca(ZnGe)2 | ICSD | 25319 | I4/mmm (139) | ✔ | 5 | 42 | 3 | 0.0 | 0.031 | 0.386 | (1;111) | ✗ | 27/01/17 |
LiNbO3 | ICSD | 28294 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4374 | 3.461 | 0.000 | (0;000) | ✗ | 06/10/16 |
PbF4 | COD | 1528583 | I4/mmm (139) | ✔ | 5 | 42 | 3 | 2.2131 | 2.413 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiNbO3 | ICSD | 35014 | R3c (161) | ✗ | 10 | 68 | 3 | 3.5503 | 3.611 | 0.000 | (0;000) | ✗ | 06/10/16 |
SnF2 | COD | 1523455 | C2/c (15) | ✔ | 24 | 224 | 3 | 3.1191 | 3.119 | 0.000 | (0;000) | ✗ | 04/08/17 |
MnF3 | ICSD | 19080 | C2/c (15) | ✔ | 8 | 72 | 3 | 0.0 | 0.021 | 0.280 | (0;000) | ✗ | 04/08/17 |
MnNF3 | COD | 9016032 | Pbam (55) | ✔ | 10 | 82 | 3 | 0.0 | 0.000 | 0.931 | (1;000) | ✗ | 04/08/17 |
MnF3 | ICSD | 73113 | C2/c (15) | ✔ | 24 | 216 | 3 | 0.0 | 0.007 | 0.231 | (1;000) | ✗ | 04/08/17 |
MnN | ICSD | 236787 | F-43m (216) | ✗ | 2 | 20 | 3 | 0.0222 | 0.393 | 0.000 | (0;000) | ✔ | 04/10/16 |
TaIr | COD | 1523600 | Pmma (51) | ✔ | 12 | 180 | 3 | 0.0 | 0.009 | 0.863 | (0;100) | ✗ | 27/01/17 |