▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CaZrGeO5 | ICSD | 154327 | P-1 (2) | ✔ | 16 | 96 | 3 | 3.5272 | 3.527 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsNaTiO3 | ICSD | 78752 | Cmcm (63) | ✔ | 12 | 96 | 3 | 3.5344 | 3.588 | 0.000 | (0;000) | ✗ | 27/01/17 |
Bi2SO2 | ICSD | 29451 | Pnnm (58) | ✔ | 10 | 96 | 3 | 0.5844 | 0.953 | 0.000 | (0;000) | ✗ | 05/01/17 |
Bi2O3 | COD | 1010311 | Pn-3m (224) | ✔ | 10 | 96 | 3 | 0.0 | 0.003 | 0.667 | (1;000) | ✗ | 05/01/17 |
YVO4 | ICSD | 174550 | I4_1/a (88) | ✔ | 12 | 96 | 3 | 3.5058 | 3.536 | 0.000 | (0;000) | ✗ | 27/01/17 |
Bi2Pd | COD | 9012855 | C2/m (12) | ✔ | 6 | 96 | 3 | 0.0 | 0.125 | 0.692 | (1;000) | ✗ | 05/01/17 |
BiPbClO2 | COD | 9012425 | Cmcm (63) | ✔ | 10 | 96 | 2 | 1.7889 | 1.813 | 0.000 | (0;000) | ✗ | 05/01/17 |
TaPO5 | ICSD | 87281 | P4/n (85) | ✔ | 14 | 96 | 3 | 4.0586 | 4.475 | 0.000 | (0;000) | ✗ | 27/01/17 |
YVO4 | COD | 9009764 | I4_1/amd (141) | ✔ | 12 | 96 | 3 | 2.9575 | 2.958 | 0.000 | (0;000) | ✗ | 27/01/17 |
HfGeOs | ICSD | 636578 | P-62m (189) | ✗ | 9 | 96 | 3 | 0.0 | 0.000 | 0.788 | (0;001) | ✔ | 20/12/16 |
HfGeRu | ICSD | 636584 | P-62m (189) | ✗ | 9 | 96 | 3 | 0.0 | 0.000 | 0.759 | (0;000) | ✔ | 05/12/16 |
KAlH2CO5 | ICSD | 153303 | Cmcm (63) | ✔ | 20 | 96 | 2 | 4.9809 | 4.988 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sn2OF2 | COD | 2106752 | C2/m (12) | ✔ | 10 | 96 | 1 | 2.5696 | 2.686 | 0.000 | (0;000) | ✗ | 27/01/17 |
VPO5 | ICSD | 77598 | P4/n (85) | ✔ | 14 | 96 | 2 | 0.4974 | 0.497 | 0.000 | (0;000) | ✗ | 27/01/17 |
MnNbGe | ICSD | 42911 | P-62m (189) | ✗ | 9 | 96 | 3 | 0.0 | 0.000 | 0.690 | ? | ✗ | 06/10/16 |
Y2C(NO)2 | ICSD | 245333 | P6_3/mmc (194) | ✔ | 14 | 96 | 3 | 2.8762 | 3.111 | 0.000 | (0;000) | ✗ | 27/01/17 |
MnNbGe | ICSD | 637001 | P-62m (189) | ✗ | 9 | 96 | 3 | 0.0 | 0.000 | 0.690 | ? | ✗ | 06/10/16 |
TaMnGe | ICSD | 637098 | P-62m (189) | ✗ | 9 | 96 | 3 | 0.0 | 0.000 | 0.657 | ? | ✗ | 06/10/16 |
KNa2BO3 | ICSD | 33261 | Pmmn (59) | ✔ | 14 | 96 | 1 | 2.9589 | 3.196 | 0.000 | (0;000) | ✗ | 05/01/17 |
VPO5 | ICSD | 425552 | C2/m (12) | ✔ | 14 | 96 | 2 | 1.1715 | 1.369 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbPO5 | COD | 1517726 | P4/nmm (129) | ✔ | 14 | 96 | 3 | 3.3846 | 3.666 | 0.000 | (0;000) | ✗ | 27/01/17 |
Mg3BN3 | COD | 1511235 | P6_3/mmc (194) | ✔ | 14 | 96 | 3 | 1.5131 | 1.513 | 0.000 | (0;000) | ✗ | 27/01/17 |
YNbO4 | COD | 9011436 | C2/c (15) | ✔ | 12 | 96 | 3 | 3.6266 | 3.747 | 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 |
RbNa2BO3 | ICSD | 67525 | Pmmn (59) | ✔ | 14 | 96 | 1 | 3.0903 | 3.330 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrGePt | ICSD | 57115 | P2_13 (198) | ✗ | 12 | 96 | 3 | 0.0 | 0.000 | 0.543 | ? | ✗ | 06/10/16 |
ScGeRh | ICSD | 637681 | P-62m (189) | ✗ | 9 | 96 | 3 | 0.0 | 0.002 | 0.892 | ? | ✗ | 06/10/16 |
VPO5 | ICSD | 425536 | P4/n (85) | ✔ | 14 | 96 | 3 | 2.1052 | 2.158 | 0.000 | (0;000) | ✗ | 27/01/17 |
YMgAg | ICSD | 104477 | P-62m (189) | ✗ | 9 | 96 | 3 | 0.0 | 0.002 | 0.929 | ? | ✗ | 06/10/16 |
HfSO | ICSD | 23327 | P2_13 (198) | ✗ | 12 | 96 | 3 | 2.7591 | 3.483 | 0.000 | (0;000) | ✗ | 06/10/16 |
HfSiOs | ICSD | 638753 | P-62m (189) | ✗ | 9 | 96 | 3 | 0.0 | 0.000 | 0.790 | ? | ✗ | 06/10/16 |
HfSiRu | ICSD | 638841 | P-62m (189) | ✗ | 9 | 96 | 3 | 0.0 | 0.000 | 0.816 | ? | ✗ | 06/10/16 |
Re3B | COD | 1511311 | Cmcm (63) | ✔ | 8 | 96 | 3 | 0.0 | 0.008 | 0.656 | (1;000) | ✗ | 27/01/17 |
SrBr2 | COD | 9009205 | Pnma (62) | ✔ | 12 | 96 | 1 | 3.4695 | 3.470 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hg2TeO3 | ICSD | 203064 | P2cm (28) | ✗ | 12 | 96 | 3 | 1.6381 | 2.000 | 0.000 | (0;000) | ✗ | 06/10/16 |
CdO2 | ICSD | 36151 | Pa3 (205) | ✔ | 12 | 96 | 3 | 1.3975 | 1.441 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaCSN | ICSD | 953 | Pnma (62) | ✔ | 16 | 96 | 1 | 4.1824 | 4.311 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2SiSe4 | ICSD | 49750 | P2_1/m (11) | ✔ | 14 | 96 | 1 | 2.3537 | 2.365 | 0.000 | (0;000) | ✗ | 02/02/17 |
Li4SeO5 | ICSD | 410714 | C2/c (15) | ✔ | 20 | 96 | 1 | 2.9133 | 3.020 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ni2Ge | ICSD | 53743 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.014 | 0.457 | (0;000) | ✗ | 27/01/17 |
CaMgGe | ICSD | 42456 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.0 | 0.026 | 0.051 | (0;000) | ✗ | 02/02/17 |
KCSeN | ICSD | 23951 | P2_1/c (14) | ✔ | 16 | 96 | 1 | 2.9858 | 2.986 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrF2 | ICSD | 262349 | Pnma (62) | ✔ | 12 | 96 | 2 | 0.0 | 0.001 | 0.071 | (1;000) | ✗ | 27/01/17 |
Li4TiO4 | ICSD | 75164 | Cmcm (63) | ✔ | 18 | 96 | 1 | 4.6086 | 4.673 | 0.000 | (0;000) | ✗ | 27/01/17 |
Fe5C2 | COD | 1521831 | C2/c (15) | ✔ | 14 | 96 | 3 | 0.0 | 0.011 | 0.275 | (1;000) | ✗ | 27/01/17 |
Ti3GeC2 | ICSD | 180428 | P6_3/mmc (194) | ✔ | 12 | 96 | 3 | 0.0 | 0.015 | 0.413 | (1;000) | ✗ | 27/01/17 |
Ba2Si | ICSD | 52698 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.0 | 0.011 | 0.022 | (1;000) | ✗ | 02/02/17 |
Ba2SiTe4 | ICSD | 49751 | P2_1/m (11) | ✔ | 14 | 96 | 1 | 0.9821 | 1.021 | 0.000 | (0;000) | ✗ | 02/02/17 |
RbAuBr4 | COD | 8103439 | P2_1/c (14) | ✔ | 12 | 96 | 1 | 1.5384 | 1.564 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ti3SiC2 | COD | 1520829 | P6_3/mmc (194) | ✔ | 12 | 96 | 3 | 0.0 | 0.013 | 0.484 | (1;000) | ✗ | 27/01/17 |
Si(NiO2)2 | COD | 9005829 | Fd-3m (227) | ✔ | 14 | 96 | 3 | 0.0 | 0.006 | 0.582 | (0;000) | ✗ | 27/01/17 |
Ba3(GeN)2 | COD | 1005031 | P2_1/m (11) | ✔ | 14 | 96 | 1 | 0.0 | 0.017 | 0.965 | (0;010) | ✗ | 02/02/17 |
BaCaSi | ICSD | 52682 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.0365 | 0.037 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ca2GeO4 | ICSD | 182051 | P-3m1 (164) | ✔ | 14 | 96 | 1 | 1.1021 | 1.102 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca2SiO4 | ICSD | 182052 | P-3m1 (164) | ✔ | 14 | 96 | 1 | 0.9223 | 0.925 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrPIr | ICSD | 155712 | P2_13 (198) | ✗ | 12 | 96 | 3 | 0.0 | 0.000 | 0.533 | ? | ✗ | 06/10/16 |
HfFeSi | ICSD | 632263 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.007 | 0.272 | (1;000) | ✗ | 27/01/17 |
SnPd | ICSD | 105683 | Pmcn (62) | ✔ | 8 | 96 | 3 | 0.0 | 0.007 | 0.382 | (0;000) | ✗ | 06/10/16 |
SnPd | ICSD | 109415 | Pmnb (62) | ✔ | 8 | 96 | 3 | 0.0 | 0.018 | 0.403 | (0;000) | ✗ | 06/10/16 |
SrCaGe | COD | 1528698 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.414 | 0.433 | 0.000 | (0;000) | ✗ | 02/02/17 |
NbBr5 | COD | 8102968 | P-1 (2) | ✔ | 12 | 96 | 1 | 0.1832 | 0.196 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaCrO4 | COD | 1010939 | I4_1/amd (141) | ✔ | 12 | 96 | 1 | 2.8326 | 2.833 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbAuCl4 | COD | 8103425 | C2/c (15) | ✔ | 12 | 96 | 1 | 2.0009 | 2.007 | 0.000 | (0;000) | ✗ | 30/01/17 |
CaF2 | ICSD | 656449 | Pnma (62) | ✔ | 12 | 96 | 1 | 8.4981 | 8.498 | 0.000 | (0;000) | ✗ | 27/01/17 |
HPb2IO2 | ICSD | 192170 | C2/m (12) | ✔ | 12 | 96 | 3 | 1.0933 | 1.093 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsAuCl4 | ICSD | 423233 | C2/c (15) | ✔ | 12 | 96 | 1 | 1.8939 | 1.944 | 0.000 | (0;000) | ✗ | 30/01/17 |
YCo5 | COD | 1528221 | P6/mmm (191) | ✔ | 6 | 96 | 3 | 0.0 | 0.005 | 0.817 | (0;000) | ✗ | 27/01/17 |
Tl2CO3 | COD | 2017545 | C2/m (12) | ✔ | 12 | 96 | 2 | 1.4491 | 2.153 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaGe2O5 | COD | 8103645 | P-1 (2) | ✔ | 16 | 96 | 3 | 2.9045 | 2.938 | 0.000 | (0;000) | ✗ | 27/01/17 |
NbNO | COD | 1525453 | P2_1/c (14) | ✔ | 12 | 96 | 3 | 1.5582 | 1.705 | 0.000 | (0;000) | ✗ | 27/01/17 |
K3CaP2HO8 | ICSD | 35344 | C2/m (12) | ✔ | 15 | 96 | 1 | 5.1444 | 5.144 | 0.000 | (0;000) | ✗ | 02/02/17 |
SiNi2 | COD | 9009210 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.030 | 0.453 | (0;000) | ✗ | 27/01/17 |
CaMoO4 | COD | 9009638 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 3.4169 | 3.417 | 0.000 | (0;000) | ✗ | 27/01/17 |
Fe3H4(OF4)2 | ICSD | 37140 | C2/m (12) | ✔ | 17 | 96 | 3 | 0.0 | 0.055 | 0.380 | (0;111) | ✗ | 27/01/17 |
Ca2Ge | ICSD | 44854 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.3479 | 0.348 | 0.000 | (0;000) | ✗ | 02/02/17 |
MnNbSi | ICSD | 24185 | P-62m (189) | ✗ | 9 | 96 | 3 | 0.0 | 0.000 | 0.742 | ? | ✗ | 06/10/16 |
CaSi2O5 | COD | 9002042 | C2/c (15) | ✔ | 16 | 96 | 3 | 5.4246 | 5.508 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr(ClO2)2 | COD | 2207380 | Ccce (68) | ✔ | 14 | 96 | 1 | 2.3827 | 2.464 | 0.000 | (0;000) | ✗ | 02/02/17 |
TaMnSi | ICSD | 643653 | P-62m (189) | ✗ | 9 | 96 | 3 | 0.0 | 0.000 | 0.775 | ? | ✗ | 06/10/16 |
V3GeN | ICSD | 637164 | Cmcm (63) | ✔ | 10 | 96 | 3 | 0.0 | 0.007 | 0.518 | (0;000) | ✗ | 27/01/17 |
SiCl2O | COD | 7028093 | P-1 (2) | ✔ | 16 | 96 | 1 | 5.8349 | 5.921 | 0.000 | (0;000) | ✗ | 02/02/17 |
V3AsC | ICSD | 609887 | Cmcm (63) | ✔ | 10 | 96 | 3 | 0.0 | 0.003 | 0.713 | (1;110) | ✗ | 27/01/17 |
PtI2 | ICSD | 60760 | P2_1/c (14) | ✔ | 12 | 96 | 2 | 1.0407 | 1.064 | 0.000 | (0;000) | ✗ | 02/02/17 |
TaNO | ICSD | 192272 | C2/m (12) | ✔ | 12 | 96 | 3 | 0.0 | 0.035 | 0.457 | (0;110) | ✗ | 27/01/17 |
HfO2 | ICSD | 83863 | Pnma (62) | ✔ | 12 | 96 | 3 | 3.3241 | 3.324 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiO2 | ICSD | 75179 | Pnma (62) | ✔ | 12 | 96 | 3 | 2.5159 | 2.569 | 0.000 | (0;000) | ✗ | 27/01/17 |
KH4F5 | COD | 1532621 | I4_1/a (88) | ✔ | 20 | 96 | 1 | 5.6134 | 5.613 | 0.000 | (0;000) | ✗ | 02/02/17 |
Fe3S4 | COD | 9000123 | Fd-3m (227) | ✔ | 14 | 96 | 3 | 0.0 | 0.024 | 0.470 | (0;000) | ✗ | 02/02/17 |
RbH2OF | ICSD | 415010 | Pnma (62) | ✔ | 20 | 96 | 1 | 5.4701 | 5.470 | 0.000 | (0;000) | ✗ | 02/02/17 |
YSeF | ICSD | 2635 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.002 | 0.018 | (1;000) | ✗ | 02/02/17 |
Sr2Ge | COD | 1520914 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.3586 | 0.359 | 0.000 | (0;000) | ✗ | 02/02/17 |
YSF | COD | 1521891 | P6_3/mmc (194) | ✔ | 12 | 96 | 3 | 2.5558 | 3.299 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2Ge2Pb2O7 | ICSD | 30247 | P-3 (147) | ✔ | 13 | 96 | 1 | 3.1033 | 3.303 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrI2 | ICSD | 203137 | Pnma (62) | ✔ | 12 | 96 | 1 | 3.5183 | 3.518 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrSiOs | ICSD | 647807 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.055 | 0.317 | (1;000) | ✗ | 27/01/17 |
TaNO | COD | 1525454 | P2_1/c (14) | ✔ | 12 | 96 | 3 | 1.9538 | 2.162 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrMnP | ICSD | 76095 | Pnma (62) | ✔ | 12 | 96 | 3 | 0.0 | 0.007 | 0.554 | (1;000) | ✗ | 27/01/17 |
TaNO | COD | 1528855 | C2/m (12) | ✔ | 12 | 96 | 3 | 2.3632 | 2.515 | 0.000 | (0;000) | ✗ | 27/01/17 |
TlPbI3 | COD | 7221381 | Cmcm (63) | ✔ | 10 | 96 | 3 | 1.3367 | 1.337 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaCaGe | ICSD | 52681 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.1551 | 0.155 | 0.000 | (0;000) | ✗ | 02/02/17 |