▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Cs5Nb2S4Br9 | ICSD | 410590 | Immm (71) | ✔ | 20 | 158 | 1 | 1.7015 | 1.702 | 0.000 | (0;000) | ✗ | 02/02/17 |
Nb2Tl5S4Br9 | ICSD | 418796 | Immm (71) | ✔ | 20 | 178 | 2 | 1.627 | 1.638 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb3Sb2Br9 | ICSD | 39823 | P-3m1 (164) | ✔ | 14 | 100 | 2 | 1.5771 | 1.799 | 0.000 | (0;000) | ✗ | 02/02/17 |
YCuPb | ICSD | 107004 | P6_3mc (186) | ✗ | 6 | 72 | 3 | 0.0 | 0.008 | 0.229 | ? | ✗ | 06/10/16 |
ScCuS2 | ICSD | 15298 | P3m1 (156) | ✗ | 4 | 34 | 3 | 0.8732 | 1.546 | 0.000 | (0;000) | ✗ | 06/10/16 |
CdHgSBr | ICSD | 185392 | Cmmm (65) | ✔ | 16 | 148 | 3 | 0.0 | 0.002 | 0.764 | (0;000) | ✗ | 02/02/17 |
CdSbS2Br | ICSD | 171723 | C2/m (12) | ✔ | 10 | 72 | 3 | 1.4947 | 1.517 | 0.000 | (0;000) | ✗ | 02/02/17 |
PbBrCl | ICSD | 45881 | Pnma (62) | ✔ | 12 | 112 | 2 | 2.9126 | 3.004 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsBrF4 | ICSD | 426292 | Immm (71) | ✔ | 12 | 88 | 1 | 2.8511 | 2.867 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsI2Br | ICSD | 23120 | Pnma (62) | ✔ | 16 | 120 | 1 | 1.8017 | 1.820 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ge2Pt | ICSD | 43684 | Pnnm (58) | ✔ | 6 | 36 | 3 | 0.0 | 0.028 | 0.179 | (0;000) | ✗ | 27/01/17 |
ScSiCu | ICSD | 629022 | P-62m (189) | ✗ | 9 | 78 | 3 | 0.0 | 0.007 | 0.234 | ? | ✗ | 06/10/16 |
CuHgSeBr | ICSD | 411771 | Pmma (51) | ✔ | 16 | 144 | 3 | 0.8098 | 0.868 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba(CuS)2 | ICSD | 615832 | I4/mmm (139) | ✔ | 5 | 44 | 2 | 0.5441 | 0.544 | 0.000 | (0;000) | ✗ | 05/01/17 |
CuSe2Br | ICSD | 410004 | P2_1/c (14) | ✔ | 16 | 120 | 2 | 0.8528 | 0.925 | 0.000 | (0;000) | ✗ | 02/02/17 |
ScSiCu | ICSD | 86392 | P-62m (189) | ✗ | 9 | 78 | 3 | 0.0 | 0.005 | 0.238 | ? | ✗ | 06/10/16 |
CuTe2Br | ICSD | 67252 | P2_1/c (14) | ✔ | 16 | 120 | 2 | 0.3199 | 0.337 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCuSeF | ICSD | 75585 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.4025 | 1.403 | 0.000 | (0;000) | ✗ | 05/01/17 |
RbSbBrF3 | ICSD | 200109 | P-1 (2) | ✔ | 12 | 84 | 1 | 3.7376 | 3.872 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCuSF | ICSD | 183712 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 1.6889 | 1.689 | 0.000 | (0;000) | ✗ | 05/01/17 |
TiNi | ICSD | 105414 | P2_1/m (11) | ✔ | 4 | 44 | 3 | 0.0 | 0.025 | 0.763 | (1;100) | ✔ | 06/10/16 |
RbBrF4 | ICSD | 65713 | I4/mcm (140) | ✔ | 12 | 88 | 2 | 3.8888 | 3.889 | 0.000 | (0;000) | ✗ | 02/02/17 |
ScGe2 | ICSD | 637830 | Cmcm (63) | ✔ | 6 | 38 | 3 | 0.0 | 0.000 | 0.822 | (0;000) | ✗ | 06/10/16 |
Sr2FeBrO3 | ICSD | 93509 | P4/nmm (129) | ✔ | 14 | 106 | 1 | 0.0 | 0.000 | 0.782 | (0;000) | ✗ | 02/02/17 |
LiH2BrO | ICSD | 391154 | Cmcm (63) | ✔ | 20 | 72 | 1 | 4.4428 | 4.473 | 0.000 | (0;000) | ✗ | 02/02/17 |
HgBrO3 | ICSD | 31925 | C2/c (15) | ✔ | 20 | 148 | 2 | 3.4599 | 3.523 | 0.000 | (0;000) | ✗ | 02/02/17 |
ScCuSn | ICSD | 416543 | P6_3mc (186) | ✗ | 6 | 72 | 0 | 0.0 | 0.010 | 0.225 | (1;000) | ✔ | 28/10/16 |
BaCuTeF | ICSD | 245624 | P4/nmm (129) | ✔ | 8 | 68 | 1 | 0.8274 | 0.827 | 0.000 | (0;000) | ✗ | 05/01/17 |
K2HBrO | ICSD | 78734 | P2_1/m (11) | ✔ | 10 | 64 | 1 | 3.7379 | 3.738 | 0.000 | (0;000) | ✗ | 02/02/17 |
HPbBrO | ICSD | 404573 | Pnma (62) | ✔ | 16 | 112 | 3 | 2.8066 | 2.835 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2HBrO | ICSD | 78735 | P2_1/m (11) | ✔ | 10 | 64 | 1 | 3.6511 | 3.671 | 0.000 | (0;000) | ✗ | 02/02/17 |
InSb2S4Br | ICSD | 159467 | C2/m (12) | ✔ | 16 | 108 | 3 | 1.4395 | 1.453 | 0.000 | (0;000) | ✗ | 02/02/17 |
InSb2Se4Br | ICSD | 159466 | C2/m (12) | ✔ | 16 | 108 | 3 | 1.014 | 1.016 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCuP | ICSD | 52684 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.374 | 0.167 | (0;000) | ✗ | 05/01/17 |
PbIBr | ICSD | 22138 | Pnma (62) | ✔ | 12 | 112 | 1 | 1.7861 | 1.908 | 0.000 | (0;000) | ✗ | 02/02/17 |
MnSbS2Br | ICSD | 172782 | C2/m (12) | ✔ | 10 | 78 | 3 | 0.0 | 0.002 | 0.364 | (1;111) | ✗ | 02/02/17 |
MnSbSe2Br | ICSD | 172784 | Pnma (62) | ✔ | 20 | 156 | 3 | 0.0 | 0.000 | 0.378 | (1;011) | ✗ | 02/02/17 |
TiCuSn | ICSD | 54657 | P6_3mc (186) | ✗ | 6 | 74 | 3 | 0.0 | 0.000 | 0.569 | ? | ✗ | 06/10/16 |
Te4MoBr | ICSD | 82245 | P-1 (2) | ✔ | 12 | 90 | 2 | 0.8068 | 0.807 | 0.000 | (0;000) | ✗ | 02/02/17 |
Y3BrO4 | ICSD | 419384 | Cmcm (63) | ✔ | 16 | 128 | 3 | 4.3204 | 4.320 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCuSb | ICSD | 57020 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.123 | 0.162 | (0;000) | ✗ | 05/01/17 |
TiBrO | ICSD | 240499 | Pmma (51) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.548 | (0;001) | ✗ | 02/02/17 |
Tl5Se2Br | ICSD | 75960 | I4/mcm (140) | ✔ | 16 | 168 | 3 | 0.1085 | 0.117 | 0.000 | (0;000) | ✗ | 02/02/17 |
SeBr | ICSD | 37017 | P2_1/c (14) | ✔ | 16 | 104 | 1 | 1.7231 | 1.861 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaF2 | ICSD | 41650 | Pnma (62) | ✔ | 12 | 96 | 1 | 7.3138 | 7.314 | 0.000 | (0;000) | ✗ | 05/01/17 |
Tl5Te2Br | ICSD | 427679 | I4/mcm (140) | ✔ | 16 | 168 | 3 | 0.0633 | 0.064 | 0.000 | (0;000) | ✗ | 02/02/17 |
TiGe2 | ICSD | 638050 | Fddd (70) | ✔ | 6 | 40 | 3 | 0.0 | 0.011 | 0.439 | (1;000) | ✗ | 06/10/16 |
TaBRu | ICSD | 429116 | Pmma (51) | ✔ | 18 | 192 | 3 | 0.0 | 0.012 | 0.833 | (1;010) | ✗ | 02/02/17 |
YCuSn | ICSD | 416544 | P2_1 (4) | ✗ | 6 | 72 | 0 | 0.0 | 0.004 | 0.222 | (0;000) | ✔ | 06/10/16 |
BaLiF3 | ICSD | 45310 | Pm-3m (221) | ✔ | 5 | 34 | 1 | 6.6401 | 6.640 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cu2GeS3 | ICSD | 627779 | Im2m (44) | ✗ | 6 | 44 | 3 | 0.0 | 0.027 | 0.144 | (0;101) | ✔ | 06/10/16 |
Zr5Sn3B | ICSD | 656289 | P6_3/mcm (193) | ✔ | 18 | 130 | 3 | 0.0 | 0.000 | 0.765 | (1;000) | ✗ | 02/02/17 |
CsAgC2 | ICSD | 410873 | P4_2/mmc (131) | ✔ | 8 | 56 | 2 | 2.4888 | 2.489 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaAg(CN)2 | ICSD | 65697 | C2/c (15) | ✔ | 12 | 76 | 1 | 2.7425 | 2.854 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaNiF6 | ICSD | 35396 | R-3m (166) | ✔ | 8 | 62 | 1 | 1.4123 | 1.426 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaMg(CO2)2 | ICSD | 193061 | C2/m (12) | ✔ | 8 | 52 | 1 | 1.5397 | 1.540 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaMg(CO3)2 | ICSD | 193059 | R-3m (166) | ✔ | 10 | 64 | 2 | 4.141 | 4.238 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaC2(SN)2 | ICSD | 94428 | C2/c (15) | ✔ | 14 | 80 | 1 | 0.023 | 0.051 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiBC2(O2F)2 | ICSD | 185384 | Cmcm (63) | ✔ | 20 | 104 | 1 | 3.7651 | 3.918 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsNiC2BrN2 | ICSD | 380468 | I4/mmm (139) | ✔ | 14 | 88 | 3 | 0.0 | 0.012 | 0.283 | (0;000) | ✗ | 02/02/17 |
RbNiC2BrN2 | ICSD | 380470 | I4/mmm (139) | ✔ | 14 | 88 | 3 | 0.0 | 0.009 | 0.315 | (0;000) | ✗ | 02/02/17 |
CaC2(SN)2 | ICSD | 412783 | C2/c (15) | ✔ | 14 | 80 | 1 | 3.566 | 3.648 | 0.000 | (0;000) | ✗ | 02/02/17 |
PC2N3Cl4 | ICSD | 81344 | Cmcm (63) | ✔ | 20 | 112 | 1 | 3.7138 | 3.728 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsNiC2N2Cl | ICSD | 380469 | I4/mmm (139) | ✔ | 14 | 88 | 2 | 0.0 | 0.009 | 0.271 | (0;000) | ✗ | 02/02/17 |
RbNiC2N2Cl | ICSD | 380471 | I4/mmm (139) | ✔ | 14 | 88 | 3 | 0.0 | 0.006 | 0.273 | (0;000) | ✗ | 02/02/17 |
CsC2I3N2 | ICSD | 32521 | Pmmn (59) | ✔ | 16 | 96 | 1 | 3.0749 | 3.166 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsKC2 | ICSD | 189822 | Pnma (62) | ✔ | 16 | 104 | 1 | 3.2247 | 3.231 | 0.000 | (0;000) | ✗ | 02/02/17 |
TiSe2 | ICSD | 108739 | P-3m1 (164) | ✔ | 3 | 24 | 2 | 0.0 | 0.000 | 0.275 | (1;000) | ✔ | 04/10/16 |
CsNaC2 | ICSD | 189824 | Pbcm (57) | ✔ | 16 | 104 | 1 | 3.1107 | 3.210 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsRbC2 | ICSD | 189823 | Pnma (62) | ✔ | 16 | 104 | 1 | 2.8694 | 3.018 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbCuC2 | ICSD | 412039 | P4_2/mmc (131) | ✔ | 8 | 56 | 2 | 2.067 | 2.067 | 0.000 | (0;000) | ✗ | 02/02/17 |
As2Se3 | ICSD | 611373 | C2/m (12) | ✔ | 10 | 56 | 1 | 0.5143 | 0.533 | 0.000 | (0;000) | ✗ | 30/01/17 |
BaH2C2O5 | ICSD | 151115 | C2/m (12) | ✔ | 20 | 100 | 1 | 3.1951 | 3.297 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrC | ICSD | 183162 | F-43m (216) | ✗ | 2 | 16 | 3 | 0.3943 | 0.467 | 0.000 | (0;000) | ✔ | 06/10/16 |
VO2 | ICSD | 89471 | P2/m (10) | ✔ | 6 | 50 | 3 | 0.0 | 0.011 | 0.940 | (0;010) | ✔ | 06/10/16 |
ZrGe2 | ICSD | 16696 | Cmcm (63) | ✔ | 6 | 40 | 3 | 0.0 | 0.014 | 0.240 | (1;110) | ✗ | 06/10/16 |
KH3C2O3 | ICSD | 77115 | P-1 (2) | ✔ | 18 | 76 | 1 | 5.372 | 5.405 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdH6C2I2(NO)2 | ICSD | 192774 | P-1 (2) | ✔ | 15 | 62 | 1 | 2.8954 | 2.929 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cu2GeS3 | ICSD | 85138 | Cc (9) | ✗ | 12 | 88 | 3 | 0.3087 | 0.312 | 0.000 | (0;000) | ✔ | 05/12/16 |
KHgC2IN2 | ICSD | 18198 | Cmcm (63) | ✔ | 14 | 92 | 1 | 2.5564 | 2.847 | 0.000 | (0;000) | ✗ | 02/02/17 |
HgC2(NO)2 | ICSD | 245329 | Cmce (64) | ✔ | 14 | 84 | 2 | 3.7029 | 3.807 | 0.000 | (0;000) | ✗ | 02/02/17 |
HgC2(SeN)2 | ICSD | 85760 | P2_1/c (14) | ✔ | 14 | 84 | 2 | 2.326 | 2.434 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbC2I3N2 | ICSD | 35411 | Pmmn (59) | ✔ | 16 | 96 | 1 | 2.5739 | 2.800 | 0.000 | (0;000) | ✗ | 02/02/17 |
YMoC2 | ICSD | 618370 | Pnma (62) | ✔ | 16 | 132 | 3 | 0.0 | 0.000 | 0.492 | (0;011) | ✗ | 02/02/17 |
PbC2(SN)2 | ICSD | 143 | C2/c (15) | ✔ | 14 | 88 | 1 | 2.2153 | 2.282 | 0.000 | (0;000) | ✗ | 02/02/17 |
SnC2(SN)2 | ICSD | 201193 | P-1 (2) | ✔ | 14 | 88 | 1 | 2.4482 | 2.511 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrC2(SN)2 | ICSD | 94427 | C2/c (15) | ✔ | 14 | 80 | 1 | 3.9047 | 3.934 | 0.000 | (0;000) | ✗ | 02/02/17 |
C2SeN2 | ICSD | 173995 | Cmce (64) | ✔ | 20 | 96 | 1 | 0.0 | 0.137 | 0.007 | (0;000) | ✗ | 02/02/17 |
BaPbF6 | ICSD | 25521 | R-3m (166) | ✔ | 8 | 66 | 1 | 3.4266 | 3.427 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cu2GeSe3 | ICSD | 160386 | Im2m (44) | ✗ | 6 | 44 | 3 | 0.0 | 0.021 | 0.176 | (1;010) | ✔ | 06/10/16 |
Na(CO)2 | ICSD | 154355 | P2_1/c (14) | ✔ | 20 | 116 | 1 | 2.5928 | 2.593 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaSnF6 | ICSD | 33788 | R-3 (148) | ✔ | 8 | 66 | 1 | 5.7036 | 5.704 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaTiF6 | ICSD | 33789 | R-3m (166) | ✔ | 8 | 64 | 1 | 4.8484 | 4.971 | 0.000 | (0;000) | ✗ | 05/01/17 |
Y2ReC2 | ICSD | 69098 | Pnma (62) | ✔ | 20 | 180 | 3 | 0.0 | 0.001 | 0.456 | (1;011) | ✗ | 02/02/17 |
ZrGe2 | ICSD | 56054 | Ccmm (63) | ✔ | 6 | 40 | 3 | 0.0 | 0.008 | 0.234 | (1;000) | ✗ | 06/10/16 |
Ba3Ir(CN)3 | ICSD | 424762 | P6_3/m (176) | ✔ | 20 | 148 | 1 | 0.6652 | 1.246 | 0.000 | (0;000) | ✗ | 02/02/17 |
KBC3N3F | ICSD | 412871 | P-1 (2) | ✔ | 18 | 92 | 1 | 5.968 | 6.072 | 0.000 | (0;000) | ✗ | 02/02/17 |
RuC3Br2O3 | ICSD | 48158 | C2/m (12) | ✔ | 18 | 120 | 1 | 2.0975 | 2.155 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca3C3Cl2 | ICSD | 33818 | Cmcm (63) | ✔ | 16 | 112 | 1 | 1.2545 | 1.336 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr3Co(CN)3 | ICSD | 423302 | P6_3/m (176) | ✔ | 20 | 148 | 1 | 1.2302 | 1.634 | 0.000 | (0;000) | ✗ | 02/02/17 |