▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
TlHCO2 | ICSD | 110364 | Pnna (52) | ✔ | 20 | 120 | 1 | 3.0824 | 3.082 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2NaCrF6 | ICSD | 9002 | R-3m (166) | ✔ | 20 | 166 | 1 | 0.0 | 0.001 | 0.559 | (0;000) | ✗ | 22/03/17 |
PtCI2O | ICSD | 68098 | C2/c (15) | ✔ | 20 | 136 | 2 | 1.6393 | 1.719 | 0.000 | (0;000) | ✗ | 02/02/17 |
Nb3CrS6 | ICSD | 626392 | P6_322 (182) | ✗ | 20 | 178 | 3 | 0.0 | 0.001 | 0.629 | ? | ✗ | 22/03/17 |
RbCrI3 | COD | 1528243 | C2 (5) | ✗ | 20 | 176 | 2 | 0.0 | 0.001 | 0.604 | ? | ✗ | 22/03/17 |
KCO3 | COD | 9010971 | P2_1/c (14) | ✔ | 20 | 124 | 1 | 0.5021 | 0.560 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiIn(SiO3)2 | COD | 9008457 | C2/c (15) | ✔ | 20 | 120 | 3 | 4.0232 | 4.156 | 0.000 | (0;000) | ✗ | 02/02/17 |
PH8C4N3O4 | COD | 2221677 | P1 (1) | ✗ | 20 | 68 | 1 | 2.9893 | 3.073 | 0.000 | (0;000) | ✗ | 15/02/17 |
MgSiO3 | COD | 9004005 | Pnma (62) | ✔ | 20 | 128 | 3 | 5.9742 | 6.080 | 0.000 | (0;000) | ✗ | 27/01/17 |
KCO3 | COD | 9010292 | P2_1/c (14) | ✔ | 20 | 124 | 1 | 0.4508 | 0.493 | 0.000 | (0;000) | ✗ | 02/02/17 |
In7Pd3 | ICSD | 408314 | Im-3m (229) | ✔ | 20 | 290 | 3 | 0.0 | 0.000 | 0.785 | (1;000) | ✗ | 02/02/17 |
MgSiO3 | COD | 9003382 | C2/c (15) | ✔ | 20 | 128 | 3 | 8.3287 | 8.473 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgSiO3 | COD | 9002911 | C2/c (15) | ✔ | 20 | 128 | 3 | 8.017 | 8.017 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaSr2IO6 | ICSD | 425447 | P2_1/c (14) | ✔ | 20 | 144 | 3 | 2.1609 | 2.225 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiBeH3 | COD | 4343939 | Pnma (62) | ✔ | 20 | 40 | 1 | 2.2964 | 2.395 | 0.000 | (0;000) | ✗ | 05/01/17 |
NaPb2IO6 | ICSD | 428081 | P2_1/c (14) | ✔ | 20 | 160 | 3 | 1.8412 | 1.841 | 0.000 | (0;000) | ✗ | 02/02/17 |
In7Pt3 | COD | 8100596 | Im-3m (229) | ✔ | 20 | 242 | 3 | 0.0 | 0.000 | 0.798 | (1;000) | ✗ | 02/02/17 |
NaIO3 | COD | 1530853 | Pnma (62) | ✔ | 20 | 136 | 1 | 3.7298 | 3.969 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuGeO3 | COD | 1531289 | P2_1/c (14) | ✔ | 20 | 132 | 3 | 0.0 | 0.005 | 0.372 | (1;101) | ✗ | 27/01/17 |
Cs2TeH6SO10 | ICSD | 93016 | R3 (146) | ✗ | 20 | 96 | 2 | 0.2894 | 0.323 | 0.000 | (0;000) | ✔ | 22/03/17 |
Sr2NbInO6 | ICSD | 99696 | P2_1/c (14) | ✔ | 20 | 164 | 3 | 3.8346 | 3.882 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaIn(SiO3)2 | COD | 9003413 | C2/c (15) | ✔ | 20 | 132 | 3 | 2.9551 | 3.020 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cs2PbO2 | ICSD | 2268 | P-1 (2) | ✔ | 20 | 176 | 3 | 1.5836 | 1.598 | 0.000 | (0;000) | ✗ | 22/03/17 |
Na5InS4 | ICSD | 300175 | P2_1/m (11) | ✔ | 20 | 164 | 1 | 2.067 | 2.067 | 0.000 | (0;000) | ✗ | 02/02/17 |
YCrO3 | ICSD | 185525 | Pnma (62) | ✔ | 20 | 172 | 3 | 0.0 | 0.000 | 0.319 | (0;110) | ✗ | 02/02/17 |
Sc7NCl12 | ICSD | 201976 | R-3 (148) | ✔ | 20 | 166 | 3 | 0.0 | 0.037 | 0.019 | (1;111) | ✗ | 02/02/17 |
Cs2NaVF6 | ICSD | 108910 | R-3m (166) | ✔ | 20 | 164 | 1 | 0.7701 | 0.008 | 1.000 | (0;000) | ✗ | 22/03/17 |
Ta3CrS6 | ICSD | 626633 | P6_322 (182) | ✗ | 20 | 178 | 3 | 0.0 | 0.001 | 0.670 | ? | ✗ | 22/03/17 |
Cs2NaTiF6 | ICSD | 42153 | R-3m (166) | ✔ | 20 | 162 | 1 | 0.0 | 0.000 | 0.579 | (1;111) | ✗ | 22/03/17 |
Cs2NaFeF6 | ICSD | 16255 | R-3m (166) | ✔ | 20 | 154 | 1 | 0.0 | 0.001 | 0.149 | (1;111) | ✗ | 22/03/17 |
Ta3CrSe6 | ICSD | 626727 | P6_322 (182) | ✗ | 20 | 178 | 3 | 0.0 | 0.001 | 0.761 | ? | ✗ | 22/03/17 |
Cs2NaNiF6 | ICSD | 42152 | R-3m (166) | ✔ | 20 | 158 | 1 | 0.0 | 0.001 | 0.685 | (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 |
Ca(BH)2 | ICSD | 163473 | Pnma (62) | ✔ | 20 | 72 | 2 | 0.0 | 0.007 | 0.740 | (1;000) | ✗ | 04/08/17 |
SiP2O7 | ICSD | 423437 | P2_1/c (14) | ✔ | 20 | 112 | 3 | 5.4719 | 5.472 | 0.000 | (0;000) | ✗ | 27/01/17 |
MoNCl3 | COD | 1528097 | P-1 (2) | ✔ | 20 | 160 | 2 | 1.7625 | 1.819 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2TaInO6 | ICSD | 188417 | P2_1/c (14) | ✔ | 20 | 164 | 3 | 4.2964 | 4.316 | 0.000 | (0;000) | ✗ | 02/02/17 |
PCl2OF | ICSD | 416167 | P2_1/c (14) | ✔ | 20 | 128 | 1 | 5.5247 | 5.615 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2InSbO6 | ICSD | 154032 | P2_1/c (14) | ✔ | 20 | 148 | 3 | 2.0189 | 2.019 | 0.000 | (0;000) | ✗ | 02/02/17 |
InRhO3 | ICSD | 237351 | Pnma (62) | ✔ | 20 | 192 | 3 | 0.3662 | 0.493 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cr(ClO2)3 | COD | 9016332 | R-3c (167) | ✔ | 20 | 142 | 3 | 0.0 | 0.021 | 1.000 | (0;000) | ✗ | 02/02/17 |
Sr(ClO)2 | COD | 9008002 | Ccce (68) | ✔ | 20 | 144 | 1 | 0.0 | 0.010 | 0.435 | (0;110) | ✗ | 02/02/17 |
TlIn(PSe3)2 | COD | 4000513 | P-1 (2) | ✔ | 20 | 144 | 3 | 1.4879 | 1.591 | 0.000 | (0;000) | ✗ | 02/02/17 |
Pb(ClO)2 | COD | 9007817 | Ccce (68) | ✔ | 20 | 160 | 3 | 0.0 | 0.039 | 0.192 | (0;000) | ✗ | 02/02/17 |
LiCr(GeO3)2 | ICSD | 174432 | C2/c (15) | ✔ | 20 | 122 | 3 | 0.0 | 0.000 | 0.425 | (1;011) | ✗ | 02/02/17 |
BiN9 | COD | 4334925 | P-1 (2) | ✔ | 20 | 120 | 2 | 2.0245 | 2.090 | 0.000 | (0;000) | ✗ | 02/02/17 |
CrHg(PbO3)2 | COD | 2012488 | P-1 (2) | ✔ | 20 | 180 | 3 | 2.1127 | 2.113 | 0.000 | (0;000) | ✗ | 02/02/17 |
CrGaSe3 | ICSD | 66279 | Pnma (62) | ✔ | 20 | 180 | 3 | 0.0 | 0.000 | 0.667 | (1;011) | ✗ | 02/02/17 |
Zr2InPd2 | ICSD | 404888 | P4_2/mnm (136) | ✔ | 20 | 228 | 3 | 0.0 | 0.004 | 0.549 | (0;000) | ✗ | 02/02/17 |
TlRe3(Se2Cl)2 | ICSD | 162300 | P-1 (2) | ✔ | 20 | 192 | 2 | 1.4376 | 1.556 | 0.000 | (0;000) | ✗ | 02/02/17 |
Te3Cl2 | COD | 1522083 | P2_1/c (14) | ✔ | 20 | 128 | 3 | 1.2807 | 1.345 | 0.000 | (0;000) | ✗ | 02/02/17 |
InSbS3 | ICSD | 300207 | Pnma (62) | ✔ | 20 | 144 | 2 | 1.4119 | 1.566 | 0.000 | (0;000) | ✗ | 02/02/17 |
NaCr(GeO3)2 | COD | 2016854 | C2/c (15) | ✔ | 20 | 134 | 3 | 0.0 | 0.000 | 0.468 | (1;011) | ✗ | 02/02/17 |
Cs4KLiFe2F12 | ICSD | 78928 | R-3m (166) | ✔ | 20 | 148 | 1 | 0.0021 | 0.004 | 0.000 | (0;111) | ✗ | 22/03/17 |
LiCr(SiO3)2 | COD | 9008442 | C2/c (15) | ✔ | 20 | 122 | 3 | 0.0 | 0.000 | 0.437 | (1;101) | ✗ | 02/02/17 |
CrInO3 | ICSD | 185586 | Pnma (62) | ✔ | 20 | 180 | 3 | 0.0 | 0.000 | 0.603 | (0;110) | ✗ | 02/02/17 |
KCuCl3 | COD | 1528208 | P2_1/c (14) | ✔ | 20 | 164 | 1 | 0.0 | 0.004 | 0.065 | (0;000) | ✗ | 02/02/17 |
RbCuCl3 | COD | 1527258 | Pbcn (60) | ✔ | 20 | 164 | 1 | 0.0 | 0.000 | 0.386 | (0;011) | ✗ | 02/02/17 |
CsSO3 | COD | 1530294 | P6_3mc (186) | ✗ | 20 | 132 | 1 | 5.8133 | 5.813 | 0.000 | (0;000) | ✗ | 22/03/17 |
Sr2ScIrO6 | ICSD | 88152 | P2_1/c (14) | ✔ | 20 | 168 | 3 | 0.0 | 0.241 | 0.069 | (0;000) | ✗ | 02/02/17 |
Y2MnCrO6 | ICSD | 188476 | P2_1/c (14) | ✔ | 20 | 174 | 3 | 0.0 | 0.000 | 0.840 | (1;101) | ✗ | 02/02/17 |
BiRhO3 | ICSD | 188150 | Pnma (62) | ✔ | 20 | 200 | 3 | 0.4398 | 0.625 | 0.000 | (0;000) | ✗ | 02/02/17 |
NiBiO3 | COD | 7222310 | P-1 (2) | ✔ | 20 | 172 | 3 | 0.0 | 0.013 | 0.141 | (0;000) | ✗ | 02/02/17 |
Ir2S3 | ICSD | 640948 | Pbcn (60) | ✔ | 20 | 208 | 3 | 0.8351 | 0.924 | 0.000 | (0;000) | ✗ | 02/02/17 |
Y2Si5Ir3 | ICSD | 641029 | Ibam (72) | ✔ | 20 | 186 | 3 | 0.0 | 0.000 | 0.712 | (1;010) | ✗ | 02/02/17 |
TeAuBr8 | COD | 7209429 | P-1 (2) | ✔ | 20 | 146 | 2 | 1.0117 | 1.035 | 0.000 | (0;000) | ✗ | 30/01/17 |
RbCrCl3 | ICSD | 56837 | C2/c (15) | ✔ | 20 | 176 | 1 | 0.0 | 0.002 | 0.533 | (0;000) | ✗ | 02/02/17 |
Sn7Ir3 | ICSD | 412776 | Im-3m (229) | ✔ | 20 | 298 | 3 | 0.0 | 0.000 | 0.370 | (1;000) | ✗ | 02/02/17 |
CsSnCl3 | COD | 1527954 | P2_1/c (14) | ✔ | 20 | 176 | 1 | 2.8109 | 2.811 | 0.000 | (0;000) | ✗ | 02/02/17 |
KCuCl3 | ICSD | 109325 | P2_1/c (14) | ✔ | 20 | 164 | 3 | 0.0337 | 0.048 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsPbI3 | COD | 4335639 | Pnma (62) | ✔ | 20 | 176 | 2 | 1.8656 | 1.893 | 0.000 | (0;000) | ✗ | 22/03/17 |
Cs4KLiGa2F12 | ICSD | 78927 | R-3m (166) | ✔ | 20 | 158 | 1 | 6.6244 | 6.626 | 0.000 | (0;000) | ✗ | 22/03/17 |
Sr2YIrO6 | ICSD | 88154 | P2_1/c (14) | ✔ | 20 | 168 | 3 | 0.0 | 0.013 | 0.129 | (0;000) | ✗ | 02/02/17 |
SrBiO3 | COD | 1008815 | P2_1/c (14) | ✔ | 20 | 172 | 3 | 0.4344 | 1.142 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsSnI3 | COD | 4117956 | Pnma (62) | ✔ | 20 | 176 | 2 | 1.8777 | 1.938 | 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 |
NaHgCl3 | ICSD | 38302 | Pnma (62) | ✔ | 20 | 168 | 1 | 0.4532 | 0.453 | 0.000 | (0;000) | ✗ | 02/02/17 |
MnTlCl3 | ICSD | 23168 | Pnma (62) | ✔ | 20 | 196 | 3 | 0.0 | 0.000 | 0.577 | (0;110) | ✗ | 02/02/17 |
K2ReO2 | COD | 2001934 | I4_1/a (88) | ✔ | 20 | 180 | 3 | 0.0 | 0.017 | 0.165 | (1;111) | ✗ | 02/02/17 |
K2PbO2 | ICSD | 2266 | P-1 (2) | ✔ | 20 | 176 | 1 | 1.8725 | 1.873 | 0.000 | (0;000) | ✗ | 02/02/17 |
KFeCl3 | COD | 1524477 | Pnma (62) | ✔ | 20 | 152 | 1 | 0.3958 | 0.444 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsSiTe3 | ICSD | 61397 | Cc (9) | ✗ | 20 | 124 | 1 | 1.0584 | 1.058 | 0.000 | (0;000) | ✗ | 22/03/17 |
RbMgCl3 | ICSD | 4036 | P6_3/mmc (194) | ✔ | 20 | 160 | 3 | 4.9623 | 4.962 | 0.000 | (0;000) | ✗ | 02/02/17 |
Fe(CuS)2 | COD | 9003727 | F-43m (216) | ✗ | 20 | 168 | 3 | 0.0 | 0.000 | 0.813 | ? | ✗ | 22/03/17 |
BaBiO3 | COD | 2100569 | P2_1/c (14) | ✔ | 20 | 172 | 3 | 0.0 | 1.096 | 0.032 | (0;000) | ✗ | 02/02/17 |
Fe(CuS)2 | COD | 9003725 | F-43m (216) | ✗ | 20 | 168 | 3 | 0.0 | 0.002 | 0.828 | ? | ✗ | 22/03/17 |
Te6IrCl3 | ICSD | 423672 | R-3c (167) | ✔ | 20 | 148 | 3 | 0.6694 | 0.873 | 0.000 | (0;000) | ✗ | 02/02/17 |
KMnCl3 | ICSD | 32711 | Pnma (62) | ✔ | 20 | 180 | 1 | 0.0 | 0.000 | 0.373 | (0;011) | ✗ | 02/02/17 |
KMgCl3 | ICSD | 27930 | Pnma (62) | ✔ | 20 | 160 | 3 | 4.6633 | 4.663 | 0.000 | (0;000) | ✗ | 02/02/17 |
KMnCl3 | ICSD | 173939 | Pnma (62) | ✔ | 20 | 180 | 3 | 0.0 | 0.002 | 0.327 | (0;110) | ✗ | 02/02/17 |
MoSCl3 | COD | 4002054 | C2/c (15) | ✔ | 20 | 164 | 1 | 0.0 | 0.001 | 0.450 | (1;110) | ✗ | 02/02/17 |
Y(ClO2)3 | COD | 9007776 | P2/c (13) | ✔ | 20 | 136 | 1 | 0.0 | 0.001 | 0.398 | (1;110) | ✗ | 02/02/17 |
H2CO2 | ICSD | 151248 | Pna2_1 (33) | ✗ | 20 | 72 | 1 | 4.7471 | 4.747 | 0.000 | (0;000) | ✗ | 15/02/17 |
MoSeCl3 | COD | 4002056 | C2/c (15) | ✔ | 20 | 164 | 1 | 0.0 | 0.005 | 0.471 | (1;110) | ✗ | 02/02/17 |
MoCl3O | COD | 1527307 | P2_1/c (14) | ✔ | 20 | 164 | 1 | 0.0 | 0.005 | 0.067 | (0;010) | ✗ | 02/02/17 |
VCrMoO7 | ICSD | 408563 | P-1 (2) | ✔ | 20 | 166 | 3 | 0.0 | 0.010 | 0.423 | (0;001) | ✗ | 02/02/17 |
NbSeCl3 | COD | 2209086 | P2/c (13) | ✔ | 20 | 160 | 1 | 0.7005 | 0.816 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbCl3O | ICSD | 26471 | P4_2/mnm (136) | ✔ | 20 | 160 | 2 | 2.3999 | 2.636 | 0.000 | (0;000) | ✗ | 02/02/17 |
VCl3O | ICSD | 36214 | Pnma (62) | ✔ | 20 | 160 | 1 | 2.6811 | 2.682 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiC | ICSD | 38150 | P3m1 (156) | ✗ | 20 | 80 | 3 | 1.999 | 3.114 | 0.000 | (0;000) | ✗ | 22/03/17 |