▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
VCo3 | ICSD | 625533 | P6_3/mmc (194) | ✔ | 24 | 384 | 3 | 0.0 | 0.002 | 0.988 | (1;000) | ✗ | 04/08/17 |
Cs2CoO3 | ICSD | 6154 | Cmce (64) | ✔ | 24 | 212 | 1 | 0.0 | 0.001 | 0.560 | (0;000) | ✗ | 04/08/17 |
CoGeTe | ICSD | 419780 | Pbca (61) | ✔ | 24 | 216 | 3 | 0.0 | 0.094 | 0.011 | (0;000) | ✗ | 04/08/17 |
MnAsH2O5 | ICSD | 71164 | C2/c (15) | ✔ | 18 | 104 | 3 | 0.0 | 0.014 | 0.135 | (0;000) | ✗ | 05/01/17 |
K3CoO2 | ICSD | 73212 | Pnma (62) | ✔ | 24 | 224 | 1 | 0.0 | 0.009 | 0.038 | (0;000) | ✗ | 04/08/17 |
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 |
Na3CoO2 | ICSD | 73211 | P4_2/mnm (136) | ✔ | 24 | 224 | 1 | 0.0 | 0.020 | 0.295 | (0;000) | ✗ | 04/08/17 |
Rb3CoO2 | COD | 1532295 | Pnma (62) | ✔ | 24 | 224 | 1 | 0.0 | 0.003 | 0.119 | (1;000) | ✗ | 04/08/17 |
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 |
Tl(CuO)2 | ICSD | 36535 | Imma (74) | ✔ | 10 | 94 | 3 | 0.0 | 0.004 | 0.531 | (1;101) | ✗ | 27/01/17 |
NaCrF4 | ICSD | 37108 | P2_1/c (14) | ✔ | 24 | 204 | 2 | 0.0 | 0.004 | 0.262 | (1;111) | ✗ | 04/08/17 |
CrF5 | ICSD | 419661 | Pbcm (57) | ✔ | 24 | 196 | 1 | 0.0 | 0.001 | 0.466 | (0;000) | ✗ | 04/08/17 |
CsTiF4 | COD | 1008151 | P4/nmm (129) | ✔ | 24 | 196 | 1 | 0.0 | 0.009 | 0.608 | (0;001) | ✗ | 04/08/17 |
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 |
HfAs | ICSD | 610635 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 0.0 | 0.008 | 0.315 | (1;000) | ✗ | 05/01/17 |
KHgAs | COD | 7221177 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0686 | 0.093 | 0.000 | (0;000) | ✗ | 05/01/17 |
Cs2Sb | COD | 1526333 | Pnma (62) | ✔ | 24 | 184 | 3 | 0.3786 | 0.493 | 0.000 | (0;000) | ✗ | 04/08/17 |
Zr(CuP)2 | ICSD | 628683 | P-3m1 (164) | ✔ | 5 | 36 | 3 | 0.0 | 0.035 | 0.238 | (1;000) | ✗ | 27/01/17 |
Y(CuO2)2 | ICSD | 83493 | C2/c (15) | ✔ | 14 | 114 | 3 | 0.0 | 0.000 | 0.368 | (1;101) | ✗ | 27/01/17 |
CsFeF4 | ICSD | 6043 | P4/nmm (129) | ✔ | 24 | 180 | 1 | 0.0 | 0.001 | 0.659 | (0;001) | ✗ | 04/08/17 |
CsMnF4 | COD | 1527773 | P4/nmm (129) | ✔ | 24 | 208 | 1 | 0.0 | 0.001 | 0.436 | (0;000) | ✗ | 04/08/17 |
CsVF4 | ICSD | 167354 | Pmmn (59) | ✔ | 24 | 200 | 2 | 0.0 | 0.002 | 0.402 | (0;000) | ✗ | 04/08/17 |
CsFeI4 | ICSD | 66811 | P2_1/c (14) | ✔ | 24 | 180 | 1 | 0.0 | 0.000 | 0.462 | (1;111) | ✗ | 04/08/17 |
CsInI4 | ICSD | 36602 | P2_1/c (14) | ✔ | 24 | 200 | 1 | 2.1482 | 2.148 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsTlI4 | ICSD | 59110 | P2_1/c (14) | ✔ | 24 | 200 | 1 | 1.2714 | 1.337 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsIO4 | COD | 1521182 | Pnma (62) | ✔ | 24 | 160 | 1 | 3.2435 | 3.254 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsMnO4 | COD | 1521181 | Pnma (62) | ✔ | 24 | 192 | 1 | 2.339 | 2.372 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsReO4 | ICSD | 74505 | Pnma (62) | ✔ | 24 | 192 | 1 | 4.7175 | 4.738 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsSO4 | COD | 9008020 | P2_1/c (14) | ✔ | 24 | 156 | 1 | 1.4623 | 1.462 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsV3O8 | ICSD | 50010 | P2_1/m (11) | ✔ | 24 | 192 | 1 | 2.1521 | 2.257 | 0.000 | (0;000) | ✗ | 04/08/17 |
RbCu2I3 | ICSD | 150307 | Pnma (62) | ✔ | 24 | 208 | 1 | 1.9039 | 1.904 | 0.000 | (0;000) | ✗ | 04/08/17 |
Cu3P | COD | 1010037 | P-3c1 (165) | ✔ | 24 | 228 | 3 | 0.0 | 0.003 | 0.377 | (1;000) | ✗ | 04/08/17 |
TlCl | ICSD | 109143 | Cmcm (63) | ✔ | 4 | 40 | 1 | 2.1142 | 2.114 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2(CuTe)5 | ICSD | 71204 | Cmcm (63) | ✔ | 24 | 206 | 1 | 0.0 | 0.000 | 0.992 | (1;000) | ✗ | 04/08/17 |
CaCO3 | ICSD | 180348 | R-3c (167) | ✔ | 10 | 64 | 2 | 5.0647 | 5.184 | 0.000 | (0;000) | ✗ | 06/10/16 |
AsHPbO4 | ICSD | 29552 | P2/c (13) | ✔ | 14 | 88 | 3 | 2.9786 | 2.979 | 0.000 | (0;000) | ✗ | 05/01/17 |
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 |
YMg4Cu | ICSD | 419475 | Cmmm (65) | ✔ | 24 | 248 | 1 | 0.0 | 0.003 | 0.949 | (1;000) | ✗ | 04/08/17 |
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 |
InAs | ICSD | 610696 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.018 | 0.367 | (1;000) | ✗ | 05/01/17 |
H6OF4 | ICSD | 32569 | P-1 (2) | ✔ | 22 | 80 | 1 | 0.0 | 0.009 | 0.628 | (1;000) | ✗ | 04/08/17 |
NbSbF10 | COD | 4031238 | P-1 (2) | ✔ | 24 | 176 | 1 | 4.8912 | 4.896 | 0.000 | (0;000) | ✗ | 04/08/17 |
CaCO3 | ICSD | 180349 | R-3c (167) | ✔ | 10 | 64 | 2 | 5.1604 | 5.214 | 0.000 | (0;000) | ✗ | 06/10/16 |
OsO3F2 | ICSD | 73732 | P2_1/c (14) | ✔ | 24 | 192 | 1 | 2.2427 | 2.305 | 0.000 | (0;000) | ✗ | 04/08/17 |
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 |
InAsPd5 | ICSD | 193117 | P4/mmm (123) | ✔ | 7 | 108 | 3 | 0.0 | 0.003 | 0.463 | (1;000) | ✗ | 05/01/17 |
ReO2F3 | ICSD | 415421 | P2_1/c (14) | ✔ | 24 | 192 | 1 | 3.5528 | 3.553 | 0.000 | (0;000) | ✗ | 04/08/17 |
YF3 | ICSD | 190472 | P-3c1 (165) | ✔ | 24 | 192 | 3 | 7.8345 | 7.835 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaFeF4 | COD | 1527271 | P2_1/c (14) | ✔ | 24 | 180 | 2 | 0.0 | 0.003 | 0.391 | (0;000) | ✗ | 04/08/17 |
RbFeF4 | COD | 1525545 | Pbcm (57) | ✔ | 24 | 180 | 1 | 0.0 | 0.000 | 0.225 | (0;100) | ✗ | 04/08/17 |
InAsPt5 | ICSD | 610708 | P4/mmm (123) | ✔ | 7 | 68 | 3 | 0.0 | 0.006 | 0.474 | (1;000) | ✗ | 05/01/17 |
Cu2SO4 | ICSD | 40452 | Fddd (70) | ✔ | 14 | 104 | 3 | 1.4434 | 1.459 | 0.000 | (0;000) | ✗ | 27/01/17 |
PHF4 | ICSD | 406358 | P2_1/c (14) | ✔ | 24 | 136 | 1 | 8.0586 | 8.095 | 0.000 | (0;000) | ✗ | 04/08/17 |
LiInF4 | COD | 2000863 | Pbcn (60) | ✔ | 24 | 176 | 2 | 4.4823 | 4.482 | 0.000 | (0;000) | ✗ | 04/08/17 |
KMnF4 | COD | 1006039 | P2_1/c (14) | ✔ | 24 | 208 | 1 | 0.0 | 0.013 | 0.220 | (0;000) | ✗ | 04/08/17 |
KScF4 | ICSD | 72736 | C2/m (12) | ✔ | 24 | 192 | 1 | 6.402 | 6.402 | 0.000 | (0;000) | ✗ | 04/08/17 |
RbMnF4 | ICSD | 73587 | P2_1/c (14) | ✔ | 24 | 208 | 1 | 0.0 | 0.008 | 0.119 | (0;000) | ✗ | 04/08/17 |
NaSbF4 | COD | 1530041 | P2_1/c (14) | ✔ | 24 | 168 | 1 | 4.4558 | 4.560 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaSbF4 | ICSD | 24750 | P2_1/c (14) | ✔ | 24 | 168 | 2 | 4.2647 | 4.267 | 0.000 | (0;000) | ✗ | 04/08/17 |
NaTiF4 | ICSD | 389 | Pbcn (60) | ✔ | 24 | 196 | 2 | 0.0 | 0.000 | 0.734 | (0;000) | ✗ | 04/08/17 |
NaVF4 | ICSD | 407013 | P2_1/c (14) | ✔ | 24 | 200 | 2 | 0.0 | 0.001 | 0.480 | (1;000) | ✗ | 04/08/17 |
OsOF4 | ICSD | 417246 | P2_1/c (14) | ✔ | 24 | 200 | 1 | 0.67 | 0.670 | 0.000 | (0;000) | ✗ | 04/08/17 |
RuOF4 | ICSD | 417249 | P2_1/c (14) | ✔ | 24 | 200 | 3 | 0.4136 | 0.428 | 0.000 | (0;000) | ✗ | 04/08/17 |
WOF4 | COD | 1523521 | C2/m (12) | ✔ | 24 | 248 | 2 | 1.5645 | 1.567 | 0.000 | (0;000) | ✗ | 04/08/17 |
CrCl2 | ICSD | 15467 | Pmnn (58) | ✔ | 6 | 56 | 1 | 0.0 | 0.015 | 0.396 | (0;000) | ✗ | 06/10/16 |
TlSbF4 | COD | 1530522 | P2_1/c (14) | ✔ | 24 | 184 | 1 | 0.0 | 3.540 | 1.000 | (0;000) | ✗ | 04/08/17 |
MoF5 | ICSD | 26644 | C2/m (12) | ✔ | 24 | 196 | 2 | 0.0 | 0.021 | 0.270 | (0;000) | ✗ | 04/08/17 |
TaF5 | COD | 1528377 | C2/m (12) | ✔ | 24 | 192 | 2 | 5.8166 | 5.835 | 0.000 | (0;000) | ✗ | 04/08/17 |
NbF5 | ICSD | 26647 | C2/m (12) | ✔ | 24 | 192 | 2 | 5.6485 | 5.679 | 0.000 | (0;000) | ✗ | 04/08/17 |
SF6 | COD | 1526434 | C2/m (12) | ✔ | 21 | 144 | 1 | 6.8724 | 6.886 | 0.000 | (0;000) | ✗ | 04/08/17 |
SF6 | ICSD | 41229 | P-3m1 (164) | ✔ | 21 | 144 | 1 | 6.0159 | 6.027 | 0.000 | (0;000) | ✗ | 04/08/17 |
Pb4IF7 | ICSD | 36337 | Cmcm (63) | ✔ | 24 | 224 | 2 | 2.5134 | 2.683 | 0.000 | (0;000) | ✗ | 04/08/17 |
K3SiF7 | ICSD | 23875 | P4/mbm (127) | ✔ | 22 | 160 | 1 | 6.192 | 6.192 | 0.000 | (0;000) | ✗ | 04/08/17 |
KTi2F7 | ICSD | 174209 | Cmmm (65) | ✔ | 10 | 82 | 3 | 0.0 | 0.014 | 0.924 | (0;000) | ✗ | 04/08/17 |
Rb3NiF7 | COD | 1531513 | P4/mbm (127) | ✔ | 22 | 172 | 1 | 0.9467 | 0.947 | 0.000 | (0;000) | ✗ | 04/08/17 |
Rb3SiF7 | COD | 1531492 | P4/mbm (127) | ✔ | 22 | 160 | 1 | 5.8404 | 5.840 | 0.000 | (0;000) | ✗ | 04/08/17 |