▹ Formula | ▹ Source | ▹ ID | ▴ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
RbVO3 | COD | 1527492 | Pbcm (57) | ✔ | 20 | 160 | 1 | 3.1717 | 3.195 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hf(FeSi)2 | ICSD | 20933 | Pbcm (57) | ✔ | 20 | 144 | 3 | 0.0 | 0.002 | 0.275 | (1;001) | ✗ | 02/02/17 |
K2HgS2 | ICSD | 74500 | Pbcm (57) | ✔ | 20 | 168 | 1 | 2.2608 | 2.261 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sc(FeSi)2 | ICSD | 633456 | Pbcm (57) | ✔ | 20 | 140 | 3 | 0.0 | 0.000 | 0.494 | (0;000) | ✗ | 02/02/17 |
TlVO3 | ICSD | 6108 | Pbcm (57) | ✔ | 20 | 176 | 1 | 3.2002 | 3.200 | 0.000 | (0;000) | ✗ | 02/02/17 |
W | ICSD | 15905 | Pbcm (57) | ✔ | 4 | 56 | 1 | 0.0 | 0.014 | 0.359 | (0;000) | ✗ | 02/02/17 |
CsVO3 | COD | 1527493 | Pbcm (57) | ✔ | 20 | 160 | 2 | 3.1543 | 3.166 | 0.000 | (0;000) | ✗ | 02/02/17 |
KVO3 | COD | 1527491 | Pbcm (57) | ✔ | 20 | 160 | 1 | 3.0491 | 3.071 | 0.000 | (0;000) | ✗ | 02/02/17 |
PbO | COD | 2310433 | Pbcm (57) | ✔ | 8 | 80 | 2 | 1.8544 | 2.040 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaHCN2 | ICSD | 2495 | Pbcm (57) | ✔ | 20 | 96 | 1 | 4.265 | 4.266 | 0.000 | (0;000) | ✗ | 02/02/17 |
KAsO2 | ICSD | 413149 | Pbcm (57) | ✔ | 16 | 104 | 1 | 3.8754 | 3.965 | 0.000 | (0;000) | ✗ | 30/01/17 |
Cs | ICSD | 173930 | Pbcm (57) | ✔ | 4 | 36 | 3 | 0.0 | 0.004 | 0.757 | (1;100) | ✗ | 27/01/17 |
LiH2N | ICSD | 237214 | Pbcm (57) | ✔ | 16 | 40 | 3 | 6.1225 | 6.972 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbAsO2 | ICSD | 413150 | Pbcm (57) | ✔ | 16 | 104 | 1 | 4.0164 | 4.019 | 0.000 | (0;000) | ✗ | 30/01/17 |
RbHCO2 | ICSD | 172203 | Pbcm (57) | ✔ | 20 | 104 | 1 | 4.5929 | 4.593 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsHCO2 | ICSD | 172202 | Pbcm (57) | ✔ | 20 | 104 | 1 | 4.4038 | 4.408 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsNaC2 | ICSD | 189824 | Pbcm (57) | ✔ | 16 | 104 | 1 | 3.1107 | 3.210 | 0.000 | (0;000) | ✗ | 02/02/17 |
TlF | COD | 1520823 | Pbcm (57) | ✔ | 8 | 80 | 2 | 2.8245 | 2.913 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaAlPd | ICSD | 370036 | Pbcm (57) | ✔ | 12 | 124 | 2 | 0.0 | 0.001 | 0.475 | (1;010) | ✗ | 30/01/17 |
K2SnBi | ICSD | 107616 | Pbcm (57) | ✔ | 16 | 188 | 1 | 0.0 | 0.007 | 0.375 | (0;000) | ✗ | 02/02/17 |
CrF5 | ICSD | 419661 | Pbcm (57) | ✔ | 24 | 196 | 1 | 0.0 | 0.001 | 0.466 | (0;000) | ✗ | 04/08/17 |
RbFeF4 | COD | 1525545 | Pbcm (57) | ✔ | 24 | 180 | 1 | 0.0 | 0.000 | 0.225 | (0;100) | ✗ | 04/08/17 |
PBr5 | COD | 1528267 | Pbcm (57) | ✔ | 24 | 160 | 1 | 2.1153 | 2.243 | 0.000 | (0;000) | ✗ | 04/08/17 |
HfGa | COD | 1522450 | Pbcm (57) | ✔ | 24 | 300 | 3 | 0.0 | 0.000 | 0.699 | (1;000) | ✗ | 04/08/17 |
KAs | COD | 1527315 | Pbcm (57) | ✔ | 8 | 56 | 1 | 0.0 | 0.006 | 0.542 | (1;000) | ✗ | 04/08/17 |
RbC2N3 | ICSD | 411934 | Pbcm (57) | ✔ | 24 | 128 | 1 | 4.5564 | 4.557 | 0.000 | (0;000) | ✗ | 04/08/17 |
KC2N3 | ICSD | 411930 | Pbcm (57) | ✔ | 24 | 128 | 1 | 4.8139 | 4.859 | 0.000 | (0;000) | ✗ | 04/08/17 |
SrTeO4 | ICSD | 8098 | Pbcn (60) | ✔ | 24 | 160 | 1 | 2.2406 | 2.261 | 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 |
Al3FeSi2 | COD | 2010455 | Pbcn (60) | ✔ | 24 | 100 | 3 | 0.0 | 0.000 | 0.483 | (1;110) | ✗ | 04/08/17 |
Rh2O3 | ICSD | 181830 | Pbcn (60) | ✔ | 20 | 208 | 3 | 0.71 | 0.724 | 0.000 | (0;000) | ✗ | 29/03/17 |
VBiO4 | COD | 9014682 | Pbcn (60) | ✔ | 24 | 208 | 3 | 2.3177 | 2.414 | 0.000 | (0;000) | ✗ | 04/08/17 |
VBiO4 | COD | 9000051 | Pbcn (60) | ✔ | 24 | 208 | 3 | 0.0 | 0.003 | 0.215 | (1;000) | ✗ | 04/08/17 |
Hg2P3Br | ICSD | 74770 | Pbcn (60) | ✔ | 24 | 184 | 3 | 0.9959 | 1.171 | 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 |
TaAlO4 | COD | 9004254 | Pbcn (60) | ✔ | 24 | 160 | 3 | 3.3363 | 3.479 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsCrI3 | ICSD | 23382 | Pbcn (60) | ✔ | 20 | 176 | 1 | 0.0 | 0.008 | 0.457 | (0;000) | ✗ | 22/03/17 |
TlAg3S2 | COD | 1510039 | Pbcn (60) | ✔ | 24 | 232 | 3 | 0.5312 | 0.558 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsLi2Cl3 | ICSD | 423635 | Pbcn (60) | ✔ | 24 | 144 | 1 | 5.5413 | 5.542 | 0.000 | (0;000) | ✗ | 04/08/17 |
CaTeO4 | ICSD | 8097 | Pbcn (60) | ✔ | 24 | 160 | 1 | 2.2643 | 2.264 | 0.000 | (0;000) | ✗ | 04/08/17 |
W2C | ICSD | 108194 | Pbcn (60) | ✔ | 12 | 240 | 3 | 0.0 | 0.024 | 0.397 | (1;000) | ✗ | 11/04/17 |
NaScCl4 | ICSD | 402273 | Pbcn (60) | ✔ | 24 | 192 | 1 | 3.843 | 3.885 | 0.000 | (0;000) | ✗ | 04/08/17 |
BaPdCl4 | ICSD | 411837 | Pbcn (60) | ✔ | 24 | 224 | 1 | 1.264 | 1.264 | 0.000 | (0;000) | ✗ | 04/08/17 |
BaZnCl4 | ICSD | 411952 | Pbcn (60) | ✔ | 24 | 200 | 1 | 4.6825 | 4.683 | 0.000 | (0;000) | ✗ | 04/08/17 |
PPdSe | COD | 9012269 | Pbcn (60) | ✔ | 24 | 232 | 2 | 0.729 | 0.798 | 0.000 | (0;000) | ✗ | 04/08/17 |
PPdS | ICSD | 2331 | Pbcn (60) | ✔ | 24 | 232 | 2 | 0.8446 | 1.010 | 0.000 | (0;000) | ✗ | 04/08/17 |
GeTe | ICSD | 56604 | Pbcn (60) | ✔ | 16 | 80 | 3 | 0.0 | 0.017 | 0.270 | (1;000) | ✗ | 02/02/17 |
Ir2S3 | ICSD | 640948 | Pbcn (60) | ✔ | 20 | 208 | 3 | 0.8351 | 0.924 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rh2Se3 | ICSD | 650282 | Pbcn (60) | ✔ | 20 | 208 | 3 | 0.0 | 0.007 | 0.042 | (0;000) | ✗ | 02/02/17 |
Rh2S3 | COD | 9007492 | Pbcn (60) | ✔ | 20 | 208 | 3 | 0.3041 | 0.310 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiO2 | COD | 9002782 | Pbcn (60) | ✔ | 12 | 64 | 3 | 5.5934 | 5.593 | 0.000 | (0;000) | ✗ | 27/01/17 |
H2CCl2 | COD | 2100015 | Pbcn (60) | ✔ | 20 | 80 | 1 | 5.0549 | 5.126 | 0.000 | (0;000) | ✗ | 02/02/17 |
MnF2 | ICSD | 20365 | Pbcn (60) | ✔ | 12 | 116 | 3 | 0.0 | 0.000 | 0.446 | (1;101) | ✗ | 27/01/17 |
ReO2 | COD | 9009092 | Pbcn (60) | ✔ | 12 | 108 | 3 | 0.0 | 0.000 | 0.364 | (0;011) | ✗ | 27/01/17 |
Al2O3 | ICSD | 169723 | Pbcn (60) | ✔ | 20 | 96 | 3 | 8.5906 | 8.591 | 0.000 | (0;000) | ✗ | 05/01/17 |
CO2 | COD | 9009242 | Pbcn (60) | ✔ | 12 | 64 | 1 | 0.5282 | 0.795 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZnF2 | ICSD | 20364 | Pbcn (60) | ✔ | 12 | 104 | 3 | 2.9733 | 2.973 | 0.000 | (0;000) | ✗ | 27/01/17 |
Fe2O3 | ICSD | 96077 | Pbcn (60) | ✔ | 20 | 136 | 3 | 0.0 | 0.001 | 0.415 | (0;000) | ✗ | 27/01/17 |
Mn2N | ICSD | 42979 | Pbcn (60) | ✔ | 12 | 140 | 3 | 0.0 | 0.000 | 0.541 | (1;101) | ✗ | 27/01/17 |
PbO2 | COD | 9009091 | Pbcn (60) | ✔ | 12 | 104 | 3 | 0.0 | 0.003 | 0.014 | (1;000) | ✗ | 27/01/17 |
Fe2N | ICSD | 152811 | Pbcn (60) | ✔ | 12 | 84 | 3 | 0.0 | 0.000 | 0.668 | (0;101) | ✗ | 27/01/17 |
GeO2 | COD | 1525833 | Pbcn (60) | ✔ | 12 | 64 | 3 | 0.0 | 0.023 | 0.046 | (0;000) | ✗ | 27/01/17 |
CaCl2 | ICSD | 56769 | Pbcn (60) | ✔ | 12 | 96 | 1 | 5.5921 | 5.702 | 0.000 | (0;000) | ✗ | 02/02/17 |
Mo2C | ICSD | 246146 | Pbcn (60) | ✔ | 12 | 128 | 3 | 0.0 | 0.031 | 0.368 | (1;000) | ✗ | 27/01/17 |
Rb2CdO2 | ICSD | 62054 | Pbcn (60) | ✔ | 20 | 168 | 3 | 1.5349 | 1.556 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2CdO2 | ICSD | 25004 | Pbcn (60) | ✔ | 20 | 168 | 2 | 1.4489 | 1.475 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbCuCl3 | COD | 1527258 | Pbcn (60) | ✔ | 20 | 164 | 1 | 0.0 | 0.000 | 0.386 | (0;011) | ✗ | 02/02/17 |
CO2 | ICSD | 236929 | Pbcn (60) | ✔ | 12 | 64 | 1 | 0.0 | 0.002 | 0.536 | (0;000) | ✗ | 27/01/17 |
TiO2 | COD | 2310486 | Pbcn (60) | ✔ | 12 | 96 | 3 | 2.5234 | 2.523 | 0.000 | (0;000) | ✗ | 27/01/17 |
V2C | ICSD | 108192 | Pbcn (60) | ✔ | 12 | 120 | 3 | 0.0 | 0.006 | 0.151 | (0;000) | ✗ | 27/01/17 |
MgH2 | ICSD | 155808 | Pbcn (60) | ✔ | 12 | 48 | 1 | 3.6029 | 3.778 | 0.000 | (0;000) | ✗ | 27/01/17 |
PbS | ICSD | 183249 | Pbm2 (28) | ✗ | 8 | 80 | 2 | 0.8462 | 1.424 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiB | ICSD | 236961 | Pbmm (51) | ✔ | 8 | 24 | 2 | 0.0 | 0.004 | 0.395 | (0;001) | ✗ | 06/10/16 |
Bi2O3 | ICSD | 172529 | Pbnb (56) | ✔ | 20 | 112 | 3 | 2.2888 | 2.289 | 0.000 | (0;000) | ✗ | 06/10/16 |
BiF3 | ICSD | 1269 | Pbnm (62) | ✔ | 16 | 104 | 3 | 3.7081 | 3.709 | 0.000 | (0;000) | ✗ | 06/10/16 |
SiO2 | ICSD | 75668 | Pc (7) | ✗ | 12 | 64 | 3 | 3.4494 | 3.876 | 0.000 | (0;000) | ✗ | 06/10/16 |
HgSO4 | ICSD | 28402 | Pc (7) | ✗ | 12 | 84 | 3 | 0.9664 | 1.331 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li2FeSnS4 | ICSD | 425761 | Pc (7) | ✗ | 16 | 104 | 3 | 0.0 | 0.010 | 0.502 | ? | ✗ | 22/03/17 |
Al2CdCl8 | ICSD | 62037 | Pc (7) | ✗ | 22 | 148 | 3 | 4.0271 | 4.029 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na2ZnSiO4 | COD | 1009030 | Pc (7) | ✗ | 16 | 116 | 3 | 3.1876 | 3.392 | 0.000 | (0;000) | ✗ | 29/03/17 |
BaAs2 | ICSD | 414139 | Pc (7) | ✗ | 18 | 120 | 1 | 0.3452 | 0.346 | 0.000 | (0;000) | ✔ | 24/04/17 |
BaAl4Se7 | COD | 7015593 | Pc (7) | ✗ | 24 | 128 | 3 | 2.4123 | 2.412 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na2CoGeO4 | ICSD | 200680 | Pc (7) | ✗ | 16 | 126 | 3 | 0.0 | 0.000 | 0.734 | ? | ✗ | 22/03/17 |
HCO | COD | 7100673 | Pc (7) | ✗ | 24 | 88 | 1 | 3.0002 | 3.069 | 0.000 | (0;000) | ✗ | 04/08/17 |
Na2MgSiO4 | ICSD | 15619 | Pc (7) | ✗ | 16 | 112 | 3 | 3.9447 | 4.042 | 0.000 | (0;000) | ✗ | 29/03/17 |
Na2ZnGeO4 | COD | 2008958 | Pc (7) | ✗ | 16 | 116 | 3 | 2.8509 | 3.032 | 0.000 | (0;000) | ✗ | 22/03/17 |
AlSCl7 | ICSD | 35685 | Pc (7) | ✗ | 18 | 116 | 1 | 2.8088 | 2.809 | 0.000 | (0;000) | ✗ | 16/03/17 |
AlSeBr7 | ICSD | 401396 | Pc (7) | ✗ | 18 | 116 | 1 | 2.1631 | 2.164 | 0.000 | (0;000) | ✗ | 16/03/17 |
GaSeBr7 | COD | 8101317 | Pc (7) | ✗ | 18 | 136 | 1 | 2.2271 | 2.259 | 0.000 | (0;000) | ✗ | 21/03/17 |
KH2I3O | ICSD | 26338 | Pc (7) | ✗ | 14 | 76 | 1 | 1.7843 | 1.828 | 0.000 | (0;000) | ✗ | 28/03/17 |
Li2ZnSnS4 | ICSD | 419595 | Pc (7) | ✗ | 16 | 112 | 3 | 2.3813 | 2.381 | 0.000 | (0;000) | ✗ | 29/03/17 |
ZnSi(AgS2)2 | ICSD | 183705 | Pc (7) | ✗ | 16 | 124 | 3 | 1.766 | 1.864 | 0.000 | (0;000) | ✗ | 16/03/17 |
ZnSi(AgO2)2 | ICSD | 81327 | Pc (7) | ✗ | 16 | 124 | 3 | 0.5309 | 0.677 | 0.000 | (0;000) | ✗ | 16/03/17 |
Li2ZnGeO4 | ICSD | 34362 | Pc (7) | ✗ | 16 | 92 | 3 | 3.3234 | 3.361 | 0.000 | (0;000) | ✗ | 15/02/17 |
Li2FeGeS4 | ICSD | 425762 | Pc (7) | ✗ | 16 | 84 | 3 | 0.0 | 0.017 | 0.457 | ? | ✗ | 22/03/17 |
FeSeBr7 | ICSD | 39528 | Pc (7) | ✗ | 18 | 126 | 1 | 0.0 | 0.000 | 0.345 | (0;100) | ✔ | 21/03/17 |
K2ReI6 | COD | 4313464 | Pc (7) | ✗ | 18 | 150 | 1 | 0.0 | 0.000 | 0.860 | ? | ✗ | 29/03/17 |
BaGa4Se7 | COD | 4316718 | Pc (7) | ✗ | 24 | 208 | 3 | 1.5971 | 1.597 | 0.000 | (0;000) | ✗ | 04/08/17 |
OsO2F3 | COD | 4332767 | Pc (7) | ✗ | 24 | 196 | 1 | 0.5633 | 0.583 | 0.000 | (0;000) | ✗ | 04/08/17 |
ZnSi(CuS2)2 | ICSD | 236248 | Pc (7) | ✗ | 16 | 124 | 3 | 1.684 | 1.684 | 0.000 | (0;000) | ✗ | 22/03/17 |