▹ Formula | ▹ Source | ▴ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
RbClO2 | ICSD | 162802 | Cmcm (63) | ✔ | 8 | 56 | 1 | 2.3666 | 2.928 | 0.000 | (0;000) | ✗ | 27/01/17 |
CsClO2 | ICSD | 162803 | Cmcm (63) | ✔ | 8 | 56 | 1 | 2.3848 | 2.676 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrFeAsF | ICSD | 162808 | P4/nmm (129) | ✔ | 8 | 60 | 1 | 0.0 | 0.010 | 0.451 | (0;000) | ✗ | 05/01/17 |
BN | ICSD | 162874 | F-43m (216) | ✗ | 2 | 8 | 3 | 4.4968 | 8.945 | 0.000 | (0;000) | ✗ | 06/10/16 |
BN | ICSD | 162876 | Pmnb (62) | ✔ | 8 | 32 | 3 | 5.9754 | 6.508 | 0.000 | (0;000) | ✗ | 06/10/16 |
BN | ICSD | 162877 | Cm (8) | ✗ | 8 | 32 | 3 | 1.5525 | 1.567 | 0.000 | (0;000) | ✗ | 06/10/16 |
BN | ICSD | 162880 | Cc (9) | ✗ | 8 | 32 | 3 | 3.3515 | 4.168 | 0.000 | (0;000) | ✗ | 06/10/16 |
BN | ICSD | 162883 | P2_1/c (14) | ✔ | 8 | 32 | 2 | 3.1457 | 3.540 | 0.000 | (0;000) | ✗ | 06/10/16 |
FeBiO3 | ICSD | 162895 | Pnma (62) | ✔ | 20 | 164 | 3 | 0.0 | 0.000 | 0.630 | (0;110) | ✗ | 02/02/17 |
CaTiO3 | ICSD | 162922 | I4/mcm (140) | ✔ | 10 | 80 | 3 | 2.0423 | 2.048 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiFe(GeO3)2 | ICSD | 162950 | C2/c (15) | ✔ | 20 | 110 | 3 | 0.0 | 0.000 | 0.327 | (1;101) | ✗ | 02/02/17 |
NaFeAs | ICSD | 163143 | P4/nmm (129) | ✔ | 6 | 44 | 1 | 0.0 | 0.002 | 0.460 | (1;001) | ✗ | 05/01/17 |
Sr3Fe2O7 | ICSD | 163173 | I4/mmm (139) | ✔ | 12 | 88 | 2 | 0.0 | 0.008 | 0.952 | (0;000) | ✗ | 22/03/17 |
ZnSeO3 | ICSD | 163221 | Pnma (62) | ✔ | 20 | 144 | 3 | 3.1331 | 3.445 | 0.000 | (0;000) | ✗ | 29/03/17 |
Mn | ICSD | 163245 | I4_1/amd (141) | ✔ | 2 | 30 | 3 | 0.0 | 0.000 | 0.841 | (1;111) | ✗ | 27/01/17 |
Si | ICSD | 163246 | I4/mmm (139) | ✔ | 1 | 4 | 1 | 0.0 | 0.027 | 0.613 | (0;000) | ✗ | 27/01/17 |
Ca(BH4)2 | ICSD | 163263 | I-42d (122) | ✗ | 22 | 48 | 1 | 5.277 | 5.461 | 0.000 | (0;000) | ✗ | 04/08/17 |
MoSBr | ICSD | 163308 | F-43m (216) | ✗ | 12 | 108 | 3 | 0.7669 | 0.770 | 0.000 | (0;000) | ✗ | 21/03/17 |
Mn2Sb | ICSD | 163332 | P6_3/mmc (194) | ✔ | 6 | 70 | 3 | 34.0362 | 0.000 | 1.000 | (0;000) | ✗ | 27/01/17 |
Mn3Sb | ICSD | 163333 | Pm-3m (221) | ✔ | 4 | 50 | 3 | 0.0 | 0.001 | 0.605 | (0;000) | ✗ | 27/01/17 |
YZnGe | ICSD | 163345 | P6_3/mmc (194) | ✔ | 12 | 108 | 3 | 0.0 | 0.005 | 0.471 | (1;000) | ✗ | 02/02/17 |
TiAlPt | ICSD | 163350 | P6_3/mmc (194) | ✔ | 6 | 50 | 3 | 0.0 | 0.000 | 0.904 | (0;000) | ✗ | 05/01/17 |
Ba2YSbO6 | ICSD | 163373 | Fm-3m (225) | ✔ | 10 | 72 | 3 | 3.9063 | 3.906 | 0.000 | (0;000) | ✗ | 05/01/17 |
ZrIr | ICSD | 163453 | Cmcm (63) | ✔ | 8 | 84 | 3 | 0.0 | 0.017 | 0.492 | (1;000) | ✗ | 27/01/17 |
ZrRh | ICSD | 163454 | Cmcm (63) | ✔ | 8 | 84 | 3 | 0.0 | 0.013 | 0.482 | (1;000) | ✗ | 27/01/17 |
BeO | ICSD | 163467 | F-43m (216) | ✗ | 2 | 10 | 1 | 6.9092 | 7.605 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca(BH)2 | ICSD | 163473 | Pnma (62) | ✔ | 20 | 72 | 2 | 0.0 | 0.007 | 0.740 | (1;000) | ✗ | 04/08/17 |
RbCO2 | ICSD | 163587 | Pbam (55) | ✔ | 16 | 100 | 1 | 3.1932 | 3.193 | 0.000 | (0;000) | ✗ | 02/02/17 |
FeBiO3 | ICSD | 163687 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.492 | ? | ✗ | 06/10/16 |
FeBiO3 | ICSD | 163688 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.527 | ? | ✗ | 06/10/16 |
YMgCu | ICSD | 163695 | P-62m (189) | ✗ | 9 | 96 | 3 | 0.0 | 0.000 | 0.899 | ? | ✗ | 06/10/16 |
As4C3 | ICSD | 163831 | P-42m (111) | ✗ | 7 | 32 | 3 | 0.0 | 0.031 | 0.179 | (0;000) | ✔ | 04/10/16 |
Si3As4 | ICSD | 163832 | P-42m (111) | ✗ | 7 | 32 | 3 | 0.3934 | 0.501 | 0.000 | (0;000) | ✔ | 06/10/16 |
Ge3As4 | ICSD | 163833 | P-42m (111) | ✗ | 7 | 32 | 3 | 0.138 | 0.212 | 0.000 | (0;000) | ✔ | 06/10/16 |
Sn3As4 | ICSD | 163834 | P-43m (215) | ✗ | 7 | 62 | 3 | 0.3902 | 0.463 | 0.000 | (0;000) | ✔ | 06/10/16 |
NaCdF3 | ICSD | 163866 | R3c (161) | ✗ | 10 | 84 | 3 | 3.4133 | 3.413 | 0.000 | (0;000) | ✗ | 06/10/16 |
NaCdF3 | ICSD | 163867 | R3c (161) | ✗ | 10 | 84 | 3 | 3.449 | 3.449 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cd(GaSe2)2 | ICSD | 163949 | I-4 (82) | ✗ | 7 | 62 | 3 | 1.251 | 1.251 | 0.000 | (0;000) | ✗ | 06/10/16 |
AlN | ICSD | 163951 | Ccmm (63) | ✔ | 4 | 16 | 3 | 4.2953 | 5.458 | 0.000 | (0;000) | ✗ | 06/10/16 |
MnTeMoO6 | ICSD | 163980 | P2_12_12 (18) | ✗ | 18 | 142 | 2 | 0.0 | 0.000 | 0.671 | ? | ✗ | 29/03/17 |
Y2Si2O7 | ICSD | 164147 | P2_1/c (14) | ✔ | 22 | 144 | 3 | 5.0552 | 5.102 | 0.000 | (0;000) | ✗ | 04/08/17 |
LiTiO2 | ICSD | 164158 | I4_1/amd (141) | ✔ | 8 | 54 | 3 | 0.0 | 0.000 | 0.622 | (1;111) | ✗ | 27/01/17 |
Sc | ICSD | 164205 | I4/mcm (140) | ✔ | 4 | 44 | 3 | 0.0 | 0.005 | 0.575 | (1;111) | ✗ | 27/01/17 |
LiTaO3 | ICSD | 164259 | R3c (161) | ✗ | 10 | 68 | 3 | 3.8017 | 3.828 | 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 |
PtO | ICSD | 164290 | P4_2/mmc (131) | ✔ | 4 | 32 | 3 | 0.0 | 0.001 | 0.128 | (0;000) | ✗ | 27/01/17 |
ZrH2 | ICSD | 164605 | Fm-3m (225) | ✔ | 3 | 6 | 3 | 0.0 | 0.000 | 0.293 | (0;000) | ✗ | 27/01/17 |
NO2 | ICSD | 164631 | P2_1/m (11) | ✔ | 12 | 68 | 1 | 1.4082 | 1.460 | 0.000 | (0;000) | ✗ | 06/10/16 |
O2 | ICSD | 164724 | P6_3/mmc (194) | ✔ | 4 | 24 | 1 | 0.0 | 0.002 | 0.588 | (1;000) | ✗ | 27/01/17 |
ZrO2 | ICSD | 164736 | P4_2/nmc (137) | ✔ | 6 | 48 | 3 | 3.9588 | 4.029 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaRhO3 | ICSD | 164774 | Cmcm (63) | ✔ | 10 | 90 | 2 | 0.0 | 0.000 | 0.709 | (0;000) | ✗ | 27/01/17 |
CaRhO3 | ICSD | 164775 | Pnma (62) | ✔ | 20 | 180 | 3 | 0.0 | 0.005 | 0.554 | (0;110) | ✗ | 02/02/17 |
LiB11 | ICSD | 164842 | R3m (160) | ✗ | 12 | 36 | 0 | 0.0 | 0.261 | 0.254 | (0;000) | ✔ | 06/10/16 |
LiNbO3 | ICSD | 164933 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4522 | 3.474 | 0.000 | (0;000) | ✗ | 06/10/16 |
TaCuO3 | ICSD | 164934 | R3c (161) | ✗ | 10 | 84 | 3 | 0.8785 | 0.879 | 0.000 | (0;000) | ✗ | 06/10/16 |
YCrTeO6 | ICSD | 164948 | P-31c (163) | ✔ | 18 | 134 | 3 | 0.0 | 0.000 | 0.550 | (0;000) | ✗ | 02/02/17 |
SiC | ICSD | 164973 | F-43m (216) | ✗ | 2 | 8 | 3 | 1.3623 | 4.548 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrHgO2 | ICSD | 165068 | R-3m (166) | ✔ | 4 | 34 | 2 | 1.9967 | 2.621 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sn(HgSe2)2 | ICSD | 165096 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.0 | 0.026 | 0.011 | (1;000) | ✔ | 06/10/16 |
BaNb2V2O11 | ICSD | 165097 | R-3m (166) | ✔ | 16 | 128 | 2 | 2.2681 | 2.270 | 0.000 | (0;000) | ✗ | 02/02/17 |
Nb5Si3P | ICSD | 165098 | P6_3/mcm (193) | ✔ | 18 | 164 | 3 | 0.0 | 0.001 | 0.732 | (0;000) | ✗ | 02/02/17 |
ZnSnO3 | ICSD | 165122 | R3c (161) | ✗ | 10 | 88 | 3 | 1.0327 | 1.033 | 0.000 | (0;000) | ✗ | 06/10/16 |
Y5(In2Pd)2 | ICSD | 165133 | Pbam (55) | ✔ | 22 | 286 | 3 | 0.0 | 0.000 | 0.987 | (1;000) | ✗ | 08/08/17 |
CdSnO3 | ICSD | 165167 | Pnma (62) | ✔ | 20 | 176 | 3 | 1.0793 | 1.079 | 0.000 | (0;000) | ✗ | 02/02/17 |
AuCN | ICSD | 165173 | P6mm (183) | ✗ | 3 | 20 | 3 | 0.0 | 0.997 | 0.042 | (0;000) | ✔ | 06/10/16 |
AuCN | ICSD | 165175 | P6mm (183) | ✗ | 3 | 20 | 3 | 0.9094 | 1.164 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr3Sn5 | ICSD | 165183 | Cmcm (63) | ✔ | 16 | 200 | 1 | 0.0 | 0.026 | 0.390 | (1;000) | ✗ | 02/02/17 |
Ba3Pb5 | ICSD | 165184 | Cmcm (63) | ✔ | 16 | 200 | 1 | 0.0 | 0.066 | 0.282 | (0;110) | ✗ | 02/02/17 |
K2SrIn7 | ICSD | 165188 | Cmcm (63) | ✔ | 20 | 238 | 3 | 0.0 | 0.000 | 0.850 | (1;110) | ✗ | 29/03/17 |
Ca5Sn3H | ICSD | 165190 | I4/mcm (140) | ✔ | 18 | 186 | 1 | 0.0 | 0.001 | 0.470 | (0;000) | ✗ | 02/02/17 |
CaSn | ICSD | 165193 | Cmcm (63) | ✔ | 4 | 48 | 1 | 0.0 | 0.065 | 0.315 | (0;110) | ✗ | 06/10/16 |
Sr5Pb3F | ICSD | 165195 | I4/mcm (140) | ✔ | 18 | 198 | 1 | 0.0 | 0.001 | 0.574 | (0;000) | ✗ | 02/02/17 |
LiNbF6 | ICSD | 165202 | R-3 (148) | ✔ | 8 | 58 | 1 | 6.0507 | 6.055 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiTaF6 | ICSD | 165205 | R-3 (148) | ✔ | 8 | 58 | 1 | 6.9064 | 6.906 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiAuF6 | ICSD | 165209 | R-3 (148) | ✔ | 8 | 56 | 1 | 2.5517 | 2.557 | 0.000 | (0;000) | ✗ | 05/01/17 |
Li2RuF6 | ICSD | 165210 | P4_2/mnm (136) | ✔ | 18 | 128 | 1 | 0.067 | 0.127 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2PdF6 | ICSD | 165212 | P4_2/mnm (136) | ✔ | 18 | 132 | 1 | 2.1382 | 2.139 | 0.000 | (0;000) | ✗ | 27/01/17 |
KRhF6 | ICSD | 165215 | R-3 (148) | ✔ | 8 | 68 | 1 | 0.0967 | 0.149 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cd(HO)2 | ICSD | 165224 | P-3m1 (164) | ✔ | 5 | 26 | 2 | 2.0673 | 2.296 | 0.000 | (0;000) | ✗ | 27/01/17 |
Bi2Se3 | ICSD | 165226 | R-3m (166) | ✔ | 5 | 28 | 2 | 0.2932 | 0.375 | 0.000 | (1;000) | ✗ | 06/10/16 |
HS2N(O2F)2 | ICSD | 165234 | P2_1 (4) | ✗ | 20 | 112 | 1 | 6.6299 | 6.731 | 0.000 | (0;000) | ✗ | 22/03/17 |
Ca8Al3 | ICSD | 165240 | P-1 (2) | ✔ | 22 | 178 | 1 | 0.0 | 0.006 | 0.479 | (0;000) | ✗ | 07/08/17 |
MnSiNi | ICSD | 165241 | Pnma (62) | ✔ | 12 | 116 | 3 | 0.0 | 0.001 | 0.534 | (0;011) | ✗ | 27/01/17 |
FeSiNi | ICSD | 165244 | Pnma (62) | ✔ | 12 | 88 | 3 | 0.0 | 0.004 | 0.250 | (1;000) | ✗ | 27/01/17 |
TiCoSi | ICSD | 165246 | Pnma (62) | ✔ | 12 | 132 | 3 | 0.0 | 0.000 | 0.524 | (1;011) | ✗ | 27/01/17 |
FeCoSi | ICSD | 165250 | Pnma (62) | ✔ | 12 | 116 | 3 | 0.0 | 0.001 | 0.609 | (1;011) | ✗ | 27/01/17 |
VSiNi | ICSD | 165254 | Pnma (62) | ✔ | 12 | 108 | 3 | 0.0 | 0.000 | 0.438 | (1;011) | ✗ | 27/01/17 |
CrSiNi | ICSD | 165255 | Pnma (62) | ✔ | 12 | 112 | 3 | 0.0 | 0.005 | 0.316 | (0;000) | ✗ | 27/01/17 |
CoSiNi | ICSD | 165256 | Pnma (62) | ✔ | 12 | 124 | 3 | 0.0 | 0.000 | 0.473 | (0;011) | ✗ | 27/01/17 |
WCl4 | ICSD | 165263 | C2/m (12) | ✔ | 10 | 112 | 1 | 0.1244 | 0.269 | 0.000 | (0;000) | ✗ | 11/04/17 |
MnAsO4 | ICSD | 165270 | P2_1/c (14) | ✔ | 24 | 176 | 3 | 0.0 | 0.010 | 0.172 | (0;000) | ✗ | 04/08/17 |
K4P2PdS8 | ICSD | 165312 | P-1 (2) | ✔ | 15 | 112 | 1 | 1.7253 | 1.731 | 0.000 | (0;000) | ✗ | 02/02/17 |
KPAuSe3 | ICSD | 165322 | C2/m (12) | ✔ | 12 | 86 | 1 | 1.0257 | 1.089 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiMoO2 | ICSD | 165326 | C2/m (12) | ✔ | 8 | 58 | 2 | 0.0 | 0.023 | 0.825 | (0;111) | ✗ | 27/01/17 |
SN | ICSD | 165332 | P2_1/c (14) | ✔ | 8 | 44 | 1 | 0.0 | 0.007 | 0.559 | (0;000) | ✗ | 27/01/17 |
KH4O2F | ICSD | 165371 | Pmc2_1 (26) | ✗ | 16 | 64 | 1 | 5.3586 | 5.525 | 0.000 | (0;000) | ✗ | 15/02/17 |
C3S7O | ICSD | 165374 | P-1 (2) | ✔ | 22 | 120 | 1 | 1.8563 | 2.224 | 0.000 | (0;000) | ✗ | 04/08/17 |
WNCl3 | ICSD | 165376 | P-1 (2) | ✔ | 20 | 216 | 1 | 0.3167 | 0.317 | 0.000 | (0;000) | ✗ | 11/04/17 |
Mg3Sb2 | ICSD | 165386 | P-3m1 (164) | ✔ | 5 | 40 | 3 | 0.1215 | 1.032 | 0.000 | (0;000) | ✗ | 27/01/17 |
RuF4 | ICSD | 165398 | P2_1/c (14) | ✔ | 10 | 88 | 2 | 0.0 | 0.078 | 0.066 | (0;000) | ✗ | 27/01/17 |