▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
YCo3 | COD | 2310314 | R-3m (166) | ✔ | 12 | 186 | 3 | 0.0 | 0.000 | 0.799 | (1;000) | ✗ | 22/03/17 |
C | COD | 9012593 | R-3m (166) | ✔ | 10 | 40 | 3 | 4.5247 | 5.260 | 0.000 | (0;000) | ✗ | 22/03/17 |
C | COD | 9012594 | R-3m (166) | ✔ | 14 | 56 | 3 | 4.4247 | 5.344 | 0.000 | (0;000) | ✗ | 22/03/17 |
YAl3 | ICSD | 58216 | Pm-3m (221) | ✔ | 4 | 20 | 3 | 0.0 | 0.000 | 0.430 | (0;111) | ✗ | 05/01/17 |
YAl3 | ICSD | 58220 | P6_3/mmc (194) | ✔ | 8 | 40 | 3 | 0.0 | 0.010 | 0.518 | (1;000) | ✗ | 05/01/17 |
BaMnO3 | ICSD | 24129 | Ccmm (63) | ✔ | 10 | 86 | 1 | 0.0 | 0.000 | 0.352 | (0;000) | ✗ | 06/10/16 |
ZrAl3 | COD | 2100751 | I4/mmm (139) | ✔ | 8 | 26 | 3 | 0.0 | 0.005 | 0.764 | (0;000) | ✗ | 05/01/17 |
Sc7CoI12 | ICSD | 202109 | R-3 (148) | ✔ | 20 | 178 | 3 | 0.0753 | 0.150 | 0.000 | (0;000) | ✗ | 22/03/17 |
BaAl4 | ICSD | 57513 | I4/mmm (139) | ✔ | 5 | 22 | 3 | 0.0 | 0.042 | 0.115 | (1;000) | ✗ | 05/01/17 |
Cr2F5 | COD | 2310491 | C2/c (15) | ✔ | 14 | 126 | 3 | 0.0 | 0.001 | 0.212 | (1;100) | ✗ | 27/01/17 |
Bi2Pd | ICSD | 56280 | I4/mmm (139) | ✔ | 3 | 20 | 2 | 0.0 | 0.386 | 0.383 | (1;000) | ✗ | 06/10/16 |
CaAl4 | ICSD | 606298 | I4/mmm (139) | ✔ | 5 | 22 | 3 | 0.0 | 0.016 | 0.183 | (1;000) | ✗ | 05/01/17 |
Co(TePd)2 | ICSD | 416514 | Ibam (72) | ✔ | 10 | 130 | 3 | 0.0 | 0.000 | 0.447 | (1;001) | ✗ | 22/03/17 |
ScCoP | ICSD | 624621 | Pnma (62) | ✔ | 12 | 132 | 3 | 0.0 | 0.000 | 0.511 | (0;011) | ✗ | 22/03/17 |
TiCoP | ICSD | 624646 | Pnma (62) | ✔ | 12 | 136 | 3 | 0.0 | 0.022 | 0.099 | (1;000) | ✗ | 22/03/17 |
SrAl4 | ICSD | 609418 | I4/mmm (139) | ✔ | 5 | 22 | 3 | 0.0 | 0.002 | 0.156 | (1;000) | ✗ | 05/01/17 |
V3PC | ICSD | 618621 | Cmcm (63) | ✔ | 10 | 96 | 3 | 0.0 | 0.003 | 0.568 | (0;000) | ✗ | 27/01/17 |
NbCr2 | ICSD | 626382 | P6_3/mmc (194) | ✔ | 12 | 164 | 3 | 0.0 | 0.003 | 0.623 | (0;000) | ✗ | 22/03/17 |
CsCrI3 | ICSD | 23382 | Pbcn (60) | ✔ | 20 | 176 | 1 | 0.0 | 0.008 | 0.457 | (0;000) | ✗ | 22/03/17 |
Sr3Cr2O8 | COD | 2002131 | R-3m (166) | ✔ | 13 | 106 | 1 | 0.0 | 0.000 | 0.246 | (1;111) | ✗ | 22/03/17 |
Al5Fe | COD | 2101159 | Cmcm (63) | ✔ | 12 | 46 | 3 | 0.0 | 0.000 | 0.724 | (0;110) | ✗ | 05/01/17 |
TlV3(CrS4)2 | ICSD | 74296 | C2/m (12) | ✔ | 14 | 128 | 3 | 0.0 | 0.006 | 0.759 | (1;000) | ✗ | 22/03/17 |
TaCr2 | COD | 1527318 | P6_3/mmc (194) | ✔ | 12 | 164 | 3 | 0.0 | 0.004 | 0.659 | (0;000) | ✗ | 22/03/17 |
TiCr2 | COD | 1525361 | P6_3/mmc (194) | ✔ | 12 | 160 | 3 | 0.0 | 0.004 | 0.707 | (1;000) | ✗ | 22/03/17 |
KCr3S5 | ICSD | 604340 | C2/m (12) | ✔ | 18 | 162 | 3 | 0.0 | 0.002 | 0.704 | (1;110) | ✗ | 22/03/17 |
RbCr3S5 | ICSD | 73143 | C2/m (12) | ✔ | 18 | 162 | 3 | 0.0 | 0.001 | 0.672 | (1;000) | ✗ | 22/03/17 |
TlCr3S5 | ICSD | 626645 | C2/m (12) | ✔ | 18 | 170 | 3 | 0.0 | 0.003 | 0.729 | (0;000) | ✗ | 22/03/17 |
TlCr3Se5 | ICSD | 626737 | C2/m (12) | ✔ | 18 | 170 | 3 | 0.0 | 0.004 | 0.498 | (1;001) | ✗ | 22/03/17 |
Cr3Si5 | ICSD | 626782 | I4/mcm (140) | ✔ | 16 | 124 | 3 | 0.0 | 0.001 | 0.877 | (1;111) | ✗ | 22/03/17 |
YCr4(CuO4)3 | ICSD | 248615 | Im3 (204) | ✔ | 20 | 172 | 3 | 0.0 | 0.004 | 0.257 | (0;000) | ✗ | 22/03/17 |
Cr5Si3 | COD | 1527284 | I4/mcm (140) | ✔ | 16 | 164 | 3 | 0.0 | 0.003 | 0.582 | (0;000) | ✗ | 22/03/17 |
Cs2NaCrF6 | ICSD | 9002 | R-3m (166) | ✔ | 20 | 166 | 1 | 0.0 | 0.001 | 0.559 | (0;000) | ✗ | 22/03/17 |
Al5Mo | COD | 1522873 | R-3c (167) | ✔ | 12 | 58 | 3 | 0.0 | 0.000 | 0.712 | (0;111) | ✗ | 05/01/17 |
SrCrF4 | ICSD | 9929 | I4/mcm (140) | ✔ | 12 | 104 | 1 | 0.0 | 0.001 | 0.196 | (0;000) | ✗ | 22/03/17 |
Li2CrF6 | COD | 1525286 | P2_1/c (14) | ✔ | 18 | 124 | 1 | 0.0 | 0.018 | 0.019 | (0;000) | ✗ | 22/03/17 |
CrI2 | ICSD | 4073 | C2/m (12) | ✔ | 3 | 28 | 2 | 0.0 | 0.048 | 0.337 | (0;000) | ✗ | 22/03/17 |
Cr2Se3 | COD | 1527062 | R-3 (148) | ✔ | 10 | 92 | 3 | 0.0 | 0.013 | 0.360 | (1;000) | ✗ | 27/01/17 |
Cr2HgO4 | COD | 2210102 | Fd-3m (227) | ✔ | 14 | 128 | 3 | 0.0 | 0.000 | 0.145 | (0;000) | ✗ | 27/01/17 |
Cr2GaN | ICSD | 53124 | P6_3/mmc (194) | ✔ | 8 | 92 | 3 | 0.0 | 0.002 | 0.652 | (0;000) | ✗ | 27/01/17 |
Bi2Pd5 | ICSD | 58840 | C2/m (12) | ✔ | 14 | 120 | 3 | 0.0 | 0.026 | 0.782 | (1;000) | ✗ | 06/10/16 |
Ca(Al2Fe)4 | ICSD | 606314 | I4/mmm (139) | ✔ | 13 | 66 | 3 | 0.0 | 0.002 | 0.762 | (0;000) | ✗ | 05/01/17 |
Hf(Al2Fe)4 | ICSD | 607535 | I4/mmm (139) | ✔ | 13 | 68 | 3 | 0.0 | 0.009 | 0.814 | (0;000) | ✗ | 05/01/17 |
CuBr | ICSD | 30091 | P6_3/mmc (194) | ✔ | 4 | 36 | 3 | 0.4343 | 0.434 | 0.000 | (0;000) | ✔ | 27/01/17 |
ScCrO3 | ICSD | 85141 | Pnma (62) | ✔ | 20 | 172 | 3 | 0.0 | 0.000 | 0.480 | (0;110) | ✗ | 22/03/17 |
Cs3NaPb4 | ICSD | 411893 | Cmcm (63) | ✔ | 16 | 184 | 1 | 0.3916 | 0.653 | 0.000 | (0;000) | ✗ | 22/03/17 |
CrReO4 | COD | 1528741 | C2/m (12) | ✔ | 12 | 106 | 3 | 0.0 | 0.026 | 0.770 | (0;111) | ✗ | 22/03/17 |
Ti2CrO5 | COD | 2002414 | C2/c (15) | ✔ | 16 | 136 | 3 | 0.0 | 0.004 | 0.425 | (0;000) | ✗ | 22/03/17 |
Ta2CrO6 | COD | 1001091 | P4_2/mnm (136) | ✔ | 18 | 152 | 3 | 0.0 | 0.003 | 0.221 | (0;000) | ✗ | 22/03/17 |
Zr(Al2Fe)4 | ICSD | 607756 | I4/mmm (139) | ✔ | 13 | 60 | 3 | 0.0 | 0.002 | 0.720 | (0;000) | ✗ | 05/01/17 |
O2 | ICSD | 99593 | P2/m (10) | ✔ | 1 | 6 | 1 | 0.0 | 0.034 | 0.399 | (0;000) | ✗ | 27/01/17 |
Cs2NbCuSe4 | ICSD | 84306 | Fddd (70) | ✔ | 16 | 132 | 1 | 1.6663 | 2.025 | 0.000 | (0;000) | ✗ | 22/03/17 |
HfCr2 | ICSD | 626143 | Fd-3m (227) | ✔ | 6 | 80 | 3 | 0.0 | 0.000 | 0.639 | (0;000) | ✗ | 27/01/17 |
Cs2NaFeF6 | ICSD | 16255 | R-3m (166) | ✔ | 20 | 154 | 1 | 0.0 | 0.001 | 0.149 | (1;111) | ✗ | 22/03/17 |
Cs2NaMnF6 | ICSD | 37006 | R-3m (166) | ✔ | 20 | 168 | 1 | 0.143 | 0.040 | 1.000 | (0;000) | ✗ | 22/03/17 |
Cs2NaNiF6 | ICSD | 42152 | R-3m (166) | ✔ | 20 | 158 | 1 | 0.0 | 0.001 | 0.685 | (1;111) | ✗ | 22/03/17 |
Cs2NaTiF6 | ICSD | 42153 | R-3m (166) | ✔ | 20 | 162 | 1 | 0.0 | 0.000 | 0.579 | (1;111) | ✗ | 22/03/17 |
Cs2NaVF6 | ICSD | 108910 | R-3m (166) | ✔ | 20 | 164 | 1 | 0.7701 | 0.008 | 1.000 | (0;000) | ✗ | 22/03/17 |
Bi2Pt | ICSD | 42567 | Pa3 (205) | ✔ | 12 | 80 | 3 | 0.0 | 0.008 | 0.123 | (0;000) | ✗ | 06/10/16 |
Al8Mo3 | ICSD | 58002 | C2/m (12) | ✔ | 11 | 66 | 3 | 0.0 | 0.020 | 0.060 | (0;000) | ✗ | 05/01/17 |
Cs2Hg3S4 | COD | 4002165 | Ibam (72) | ✔ | 18 | 156 | 2 | 1.8841 | 1.884 | 0.000 | (0;000) | ✗ | 22/03/17 |
NaAlAsO4F | COD | 1011040 | C2/c (15) | ✔ | 16 | 96 | 3 | 4.1684 | 4.168 | 0.000 | (0;000) | ✗ | 05/01/17 |
HfCr2 | ICSD | 109213 | P6_3/mmc (194) | ✔ | 12 | 160 | 3 | 0.0 | 0.006 | 0.704 | (1;000) | ✗ | 27/01/17 |
AlAs | ICSD | 56967 | P6_3/mmc (194) | ✔ | 4 | 16 | 3 | 0.0 | 1.384 | 0.282 | (0;000) | ✗ | 05/01/17 |
Cs2LiVS4 | ICSD | 414186 | Fddd (70) | ✔ | 16 | 116 | 1 | 1.5915 | 1.592 | 0.000 | (0;000) | ✗ | 22/03/17 |
Cs2Mn3S4 | ICSD | 65255 | Ibam (72) | ✔ | 18 | 174 | 2 | 0.0 | 0.000 | 0.747 | (1;100) | ✗ | 22/03/17 |
Cs2Mn3Se4 | ICSD | 78932 | Ibam (72) | ✔ | 18 | 174 | 2 | 0.0 | 0.000 | 0.651 | (0;111) | ✗ | 22/03/17 |
Cs2Mn3Te4 | COD | 2006421 | Ibam (72) | ✔ | 18 | 174 | 2 | 0.0 | 0.000 | 0.635 | (0;001) | ✗ | 22/03/17 |
Cs2MnSnTe4 | ICSD | 413084 | Fddd (70) | ✔ | 16 | 142 | 1 | 0.0 | 0.000 | 0.689 | (1;111) | ✗ | 22/03/17 |
Cs2PbO2 | ICSD | 2268 | P-1 (2) | ✔ | 20 | 176 | 3 | 1.5836 | 1.598 | 0.000 | (0;000) | ✗ | 22/03/17 |
Cs2Zn3S4 | ICSD | 627093 | Ibam (72) | ✔ | 18 | 156 | 2 | 2.9058 | 2.906 | 0.000 | (0;000) | ✗ | 22/03/17 |
AlAu2 | ICSD | 57496 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.006 | 0.372 | (0;011) | ✗ | 05/01/17 |
Ti(CrS2)2 | ICSD | 626640 | C2/m (12) | ✔ | 7 | 64 | 3 | 0.0 | 0.014 | 0.455 | (0;110) | ✗ | 27/01/17 |
Cr2NiS4 | COD | 1008079 | C2/m (12) | ✔ | 7 | 62 | 3 | 0.0 | 0.009 | 0.389 | (1;111) | ✗ | 27/01/17 |
Cs4KLiFe2F12 | ICSD | 78928 | R-3m (166) | ✔ | 20 | 148 | 1 | 0.0021 | 0.004 | 0.000 | (0;111) | ✗ | 22/03/17 |
Cs4KLiGa2F12 | ICSD | 78927 | R-3m (166) | ✔ | 20 | 158 | 1 | 6.6244 | 6.626 | 0.000 | (0;000) | ✗ | 22/03/17 |
Cs5Te3 | ICSD | 34000 | C2/m (12) | ✔ | 16 | 126 | 1 | 0.223 | 0.223 | 0.000 | (0;000) | ✗ | 22/03/17 |
CsSb4F13 | COD | 5910189 | I4/m (87) | ✔ | 18 | 120 | 3 | 2.4393 | 2.443 | 0.000 | (0;000) | ✗ | 22/03/17 |
Bi2Pt | ICSD | 58846 | Pbca (61) | ✔ | 24 | 160 | 3 | 0.0 | 0.018 | 0.258 | (1;000) | ✗ | 06/10/16 |
CsTaGeS5 | ICSD | 417875 | P-1 (2) | ✔ | 16 | 112 | 1 | 0.7968 | 0.814 | 0.000 | (0;000) | ✗ | 22/03/17 |
CsH3O2 | COD | 2012559 | I4_1/amd (141) | ✔ | 12 | 48 | 3 | 4.5945 | 4.737 | 0.000 | (0;000) | ✗ | 22/03/17 |
MnAlAu2 | ICSD | 57504 | Fm-3m (225) | ✔ | 4 | 40 | 3 | 0.0 | 0.022 | 0.404 | (1;000) | ✗ | 05/01/17 |
CsPbI3 | COD | 4335639 | Pnma (62) | ✔ | 20 | 176 | 2 | 1.8656 | 1.893 | 0.000 | (0;000) | ✗ | 22/03/17 |
CsSnI3 | ICSD | 69996 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.219 | 0.219 | 0.000 | (0;000) | ✗ | 22/03/17 |
CsSnI3 | COD | 4117956 | Pnma (62) | ✔ | 20 | 176 | 2 | 1.8777 | 1.938 | 0.000 | (0;000) | ✗ | 22/03/17 |
ScAlAu2 | ICSD | 57505 | Fm-3m (225) | ✔ | 4 | 36 | 3 | 0.0 | 0.059 | 0.379 | (0;000) | ✗ | 05/01/17 |
CsIO3 | COD | 1010900 | Pm-3m (221) | ✔ | 5 | 34 | 3 | 0.0 | 0.003 | 0.715 | (0;000) | ✗ | 22/03/17 |
NbCr2 | COD | 1524739 | Fd-3m (227) | ✔ | 6 | 82 | 3 | 0.0 | 0.000 | 0.858 | (0;000) | ✗ | 27/01/17 |
CsI | COD | 9008790 | Pm-3m (221) | ✔ | 2 | 16 | 1 | 3.7608 | 3.761 | 0.000 | (0;000) | ✗ | 22/03/17 |
AlAuO2 | COD | 1531586 | P6_3/mmc (194) | ✔ | 8 | 52 | 3 | 0.5094 | 1.563 | 0.000 | (0;000) | ✗ | 05/01/17 |
AlAu | COD | 1523318 | P2_1/m (11) | ✔ | 8 | 56 | 3 | 0.0 | 0.126 | 0.308 | (1;000) | ✗ | 05/01/17 |
Cr2S3 | COD | 9007441 | R-3 (148) | ✔ | 10 | 92 | 3 | 0.0 | 0.006 | 0.349 | (1;111) | ✗ | 27/01/17 |
Bi2Pt | ICSD | 58847 | P-3 (147) | ✔ | 9 | 120 | 2 | 0.0 | 0.131 | 0.351 | (0;001) | ✗ | 02/02/17 |
K3Cu2F7 | COD | 1527503 | I4/mmm (139) | ✔ | 12 | 98 | 2 | 0.0 | 0.057 | 0.657 | (0;000) | ✗ | 22/03/17 |
Sr3Fe2Cu2S2O5 | ICSD | 84961 | I4/mmm (139) | ✔ | 14 | 110 | 1 | 0.0 | 0.001 | 0.956 | (0;000) | ✗ | 22/03/17 |
Sr3Fe2Cu2Se2O5 | ICSD | 154203 | I4/mmm (139) | ✔ | 14 | 110 | 1 | 0.0 | 0.001 | 0.694 | (0;111) | ✗ | 22/03/17 |
TiAlAu | ICSD | 57506 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.011 | 0.745 | (1;000) | ✗ | 05/01/17 |
BaAlBO3F2 | ICSD | 91316 | P6_3/m (176) | ✔ | 16 | 96 | 2 | 6.2505 | 6.548 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cr2O3 | COD | 1011067 | R-3c (167) | ✔ | 10 | 92 | 3 | 0.0 | 0.020 | 0.757 | (1;000) | ✗ | 27/01/17 |
AlBMo | COD | 1528606 | Cmcm (63) | ✔ | 6 | 40 | 3 | 0.0 | 0.020 | 0.209 | (1;110) | ✗ | 05/01/17 |
AlBO3 | COD | 9011182 | R-3c (167) | ✔ | 10 | 48 | 3 | 5.9642 | 6.081 | 0.000 | (0;000) | ✗ | 05/01/17 |