▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
V4P2C | ICSD | 42388 | P-62m (189) | ✗ | 21 | 198 | 3 | 0.0 | 0.000 | 0.817 | ? | ✗ | 07/08/17 |
AgO | ICSD | 202543 | P2_1/c (14) | ✔ | 8 | 68 | 3 | 0.1696 | 0.666 | 0.000 | (0;000) | ✔ | 06/10/16 |
Si2N2O | ICSD | 200246 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.2994 | 5.299 | 0.000 | (0;000) | ✗ | 06/10/16 |
Mn2Co2C | ICSD | 44353 | P4/mmm (123) | ✔ | 5 | 68 | 3 | 0.0 | 0.006 | 0.715 | (1;000) | ✗ | 27/01/17 |
CoP2 | ICSD | 38316 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.324 | 0.324 | 0.000 | (0;000) | ✔ | 27/01/17 |
Ga5Fe6 | ICSD | 2146 | C2/m (12) | ✔ | 22 | 226 | 3 | 0.0 | 0.001 | 0.634 | (1;111) | ✗ | 07/08/17 |
ZrSi2 | ICSD | 16772 | Cmcm (63) | ✔ | 6 | 40 | 3 | 0.0 | 0.004 | 0.319 | (1;110) | ✗ | 06/10/16 |
Cr3Ga4 | COD | 2106580 | C2/m (12) | ✔ | 21 | 282 | 3 | 0.0 | 0.012 | 0.549 | (1;110) | ✗ | 07/08/17 |
Cr5S6 | COD | 9007439 | P-31c (163) | ✔ | 22 | 212 | 3 | 0.0 | 0.003 | 0.502 | (0;000) | ✗ | 07/08/17 |
Si2N2O | ICSD | 200247 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.3458 | 5.346 | 0.000 | (0;000) | ✗ | 06/10/16 |
Co2C | COD | 1528415 | Pnnm (58) | ✔ | 6 | 76 | 3 | 0.0 | 0.020 | 0.325 | (0;000) | ✗ | 27/01/17 |
ScCo3C | ICSD | 76793 | Pm-3m (221) | ✔ | 5 | 66 | 3 | 0.0 | 0.000 | 0.214 | (0;111) | ✗ | 27/01/17 |
Si2N2O | ICSD | 200248 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.4012 | 5.420 | 0.000 | (0;000) | ✗ | 06/10/16 |
CoCN2 | COD | 4307548 | P6_3/mmc (194) | ✔ | 8 | 62 | 3 | 0.0 | 0.000 | 0.753 | (0;000) | ✗ | 27/01/17 |
CoCO3 | COD | 9007713 | R-3c (167) | ✔ | 10 | 78 | 3 | 0.0 | 0.000 | 0.698 | (1;100) | ✗ | 27/01/17 |
ZnTe | ICSD | 184488 | P6_422 (181) | ✗ | 6 | 54 | 3 | 0.6079 | 0.689 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cs4Fe2O5 | ICSD | 174317 | C2/c (15) | ✔ | 22 | 164 | 3 | 0.0 | 0.003 | 0.205 | (0;000) | ✗ | 07/08/17 |
Si2N2O | ICSD | 200249 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.4106 | 5.413 | 0.000 | (0;000) | ✗ | 06/10/16 |
YCoC | ICSD | 61684 | P4_2/mmc (131) | ✔ | 6 | 64 | 3 | 0.0 | 0.000 | 0.622 | (1;000) | ✗ | 27/01/17 |
Cr2GaC | ICSD | 76801 | P6_3/mmc (194) | ✔ | 8 | 90 | 3 | 0.0 | 0.000 | 0.906 | (0;001) | ✗ | 27/01/17 |
Si2N2O | ICSD | 200250 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.3926 | 5.393 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cu2P2O7 | COD | 9007764 | C2/c (15) | ✔ | 22 | 148 | 3 | 0.0 | 0.002 | 0.230 | (0;110) | ✗ | 07/08/17 |
V2Cu2O7 | COD | 9004905 | P-1 (2) | ✔ | 22 | 180 | 3 | 0.0 | 0.002 | 0.086 | (0;000) | ✗ | 07/08/17 |
V2Cu2O7 | COD | 9014910 | C2/c (15) | ✔ | 22 | 180 | 3 | 0.0 | 0.012 | 0.274 | (0;110) | ✗ | 07/08/17 |
NaCu3F7 | COD | 1000232 | C2/c (15) | ✔ | 22 | 182 | 3 | 0.0 | 0.000 | 0.650 | (1;011) | ✗ | 07/08/17 |
Cr3GeC | ICSD | 189871 | Cmcm (63) | ✔ | 10 | 100 | 3 | 0.0 | 0.007 | 0.897 | (1;110) | ✗ | 27/01/17 |
Cu6Sn5 | COD | 2101211 | C2/c (15) | ✔ | 22 | 272 | 3 | 0.0 | 0.011 | 0.696 | (0;000) | ✗ | 07/08/17 |
Cr3PC | ICSD | 617527 | Cmcm (63) | ✔ | 10 | 102 | 3 | 0.0 | 0.000 | 0.956 | (0;110) | ✗ | 27/01/17 |
FeCO3 | COD | 9015260 | R-3c (167) | ✔ | 10 | 60 | 3 | 0.8678 | 0.959 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ga4Fe3 | COD | 2106579 | C2/m (12) | ✔ | 21 | 228 | 3 | 0.0 | 0.002 | 0.602 | (1;111) | ✗ | 07/08/17 |
Y3(GaNi3)2 | ICSD | 634985 | Im-3m (229) | ✔ | 22 | 238 | 3 | 0.0 | 0.000 | 0.741 | (1;000) | ✗ | 07/08/17 |
Ta6Ga5 | ICSD | 635465 | P6_3/mmc (194) | ✔ | 22 | 286 | 3 | 0.0 | 0.000 | 0.545 | (1;000) | ✗ | 07/08/17 |
Ga9Ir2 | ICSD | 634438 | P2_1/c (14) | ✔ | 22 | 302 | 3 | 0.0 | 0.000 | 0.880 | (0;010) | ✗ | 07/08/17 |
Ga9Rh2 | ICSD | 635207 | P2_1/c (14) | ✔ | 22 | 302 | 3 | 0.0 | 0.000 | 0.880 | (1;000) | ✗ | 07/08/17 |
Hf(MoO4)2 | COD | 1532569 | C2/c (15) | ✔ | 22 | 176 | 3 | 2.8462 | 2.846 | 0.000 | (0;000) | ✗ | 07/08/17 |
Hg2Mo2O7 | ICSD | 51511 | P2/c (13) | ✔ | 22 | 188 | 3 | 2.434 | 2.643 | 0.000 | (0;000) | ✗ | 07/08/17 |
Hg2P2O7 | COD | 2006377 | P-1 (2) | ✔ | 22 | 152 | 3 | 1.635 | 2.154 | 0.000 | (0;000) | ✗ | 07/08/17 |
Tl4HgI6 | COD | 1527143 | P4/mnc (128) | ✔ | 22 | 212 | 3 | 1.1924 | 1.192 | 0.000 | (0;000) | ✗ | 07/08/17 |
LiMnVO4 | COD | 2202307 | Cmcm (63) | ✔ | 14 | 110 | 3 | 0.0 | 0.000 | 0.709 | (0;110) | ✗ | 27/01/17 |
CuCN2 | ICSD | 161460 | Cmcm (63) | ✔ | 8 | 50 | 3 | 0.0 | 0.000 | 0.436 | (0;000) | ✗ | 27/01/17 |
HgWO4 | COD | 2010794 | C2/c (15) | ✔ | 12 | 128 | 3 | 2.3115 | 2.754 | 0.000 | (0;000) | ✗ | 07/08/17 |
V2C | ICSD | 108192 | Pbcn (60) | ✔ | 12 | 120 | 3 | 0.0 | 0.006 | 0.151 | (0;000) | ✗ | 27/01/17 |
Tl6SeI4 | COD | 4106340 | P4/mnc (128) | ✔ | 22 | 224 | 3 | 1.1927 | 1.193 | 0.000 | (0;000) | ✗ | 07/08/17 |
Tl6SI4 | COD | 4001792 | P4/mnc (128) | ✔ | 22 | 224 | 3 | 1.2812 | 1.281 | 0.000 | (0;000) | ✗ | 07/08/17 |
Ge | COD | 7101739 | Fd-3m (227) | ✔ | 4 | 16 | 3 | 0.0 | 0.012 | 0.616 | (0;000) | ✗ | 27/01/17 |
Si2N2O | ICSD | 98638 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 5.1733 | 5.173 | 0.000 | (0;000) | ✗ | 06/10/16 |
Hf | ICSD | 76412 | Im-3m (229) | ✔ | 1 | 12 | 3 | 0.0 | 0.000 | 0.525 | (0;000) | ✗ | 27/01/17 |
Tl4PbI6 | COD | 7221245 | Pbam (55) | ✔ | 22 | 216 | 3 | 1.6709 | 1.674 | 0.000 | (0;000) | ✗ | 07/08/17 |
Sn4SI6 | COD | 7221344 | C2/m (12) | ✔ | 22 | 208 | 3 | 1.0535 | 1.123 | 0.000 | (0;000) | ✗ | 07/08/17 |
Hg | ICSD | 174005 | R-3m (166) | ✔ | 1 | 12 | 3 | 0.0 | 0.032 | 0.397 | (1;000) | ✗ | 27/01/17 |
Li2ZnSn | COD | 1522875 | Fm-3m (225) | ✔ | 4 | 32 | 3 | 0.0 | 0.000 | 0.574 | (0;000) | ✗ | 27/01/17 |
MgSi7Ir3 | COD | 2210014 | R-3c (167) | ✔ | 22 | 178 | 3 | 0.0 | 0.000 | 0.868 | (0;000) | ✗ | 07/08/17 |
HgO2 | ICSD | 24774 | Pbca (61) | ✔ | 12 | 96 | 3 | 0.3438 | 0.816 | 0.000 | (0;000) | ✗ | 27/01/17 |
K | ICSD | 165996 | Pnma (62) | ✔ | 8 | 72 | 3 | 0.0 | 0.147 | 0.288 | (0;000) | ✗ | 27/01/17 |
MoH | ICSD | 108537 | P6_3/mmc (194) | ✔ | 4 | 30 | 3 | 0.0 | 0.000 | 0.834 | (0;000) | ✗ | 27/01/17 |
HRh | ICSD | 56168 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.000 | 0.615 | (0;000) | ✗ | 27/01/17 |
YIn | ICSD | 188185 | Pm-3m (221) | ✔ | 2 | 24 | 3 | 0.0 | 0.000 | 0.449 | (0;000) | ✗ | 27/01/17 |
Li4MoO5 | ICSD | 40270 | P-1 (2) | ✔ | 20 | 112 | 3 | 0.0 | 0.010 | 0.282 | (0;000) | ✗ | 27/01/17 |
ZnTe | ICSD | 80076 | P3_1 (144) | ✗ | 6 | 54 | 3 | 0.2277 | 1.605 | 0.000 | (0;000) | ✔ | 06/10/16 |
Li3FeN2 | ICSD | 68523 | Ibam (72) | ✔ | 12 | 54 | 3 | 0.0 | 0.000 | 0.662 | (0;011) | ✗ | 27/01/17 |
K(Mo2O3)2 | ICSD | 68533 | P4/mbm (127) | ✔ | 22 | 202 | 3 | 0.0 | 0.000 | 0.986 | (0;001) | ✗ | 07/08/17 |
Fe3O4 | COD | 9002674 | Fd-3m (227) | ✔ | 14 | 96 | 3 | 0.0 | 0.002 | 0.306 | (0;000) | ✗ | 27/01/17 |
BaAg | ICSD | 260623 | Pmnb (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.001 | 0.353 | (1;011) | ✗ | 06/10/16 |
Fe3RhN | ICSD | 153274 | Pm-3m (221) | ✔ | 5 | 46 | 3 | 0.0 | 0.000 | 0.590 | (0;000) | ✗ | 27/01/17 |
Li2O2 | COD | 1514085 | P6_3/mmc (194) | ✔ | 8 | 36 | 3 | 0.0 | 0.017 | 0.358 | (1;000) | ✗ | 27/01/17 |
MoN | ICSD | 106926 | Imma (74) | ✔ | 4 | 38 | 3 | 0.0 | 0.000 | 0.816 | (1;110) | ✗ | 27/01/17 |
NiMoO4 | ICSD | 81060 | P2/c (13) | ✔ | 12 | 96 | 3 | 0.0 | 0.014 | 0.472 | (0;110) | ✗ | 27/01/17 |
NbS | ICSD | 44992 | P6_3/mmc (194) | ✔ | 4 | 38 | 3 | 0.0 | 0.000 | 0.878 | (0;000) | ✗ | 27/01/17 |
Mn(NbS2)3 | ICSD | 643019 | P6_322 (182) | ✗ | 20 | 180 | 3 | 0.0 | 0.009 | 0.277 | ? | ✗ | 07/08/17 |
Ni6Mo2P3 | ICSD | 20825 | Pmmn (59) | ✔ | 22 | 206 | 3 | 0.0 | 0.000 | 0.798 | (0;010) | ✗ | 07/08/17 |
Zr(MoO4)2 | ICSD | 420668 | C2/c (15) | ✔ | 22 | 160 | 3 | 2.9098 | 2.989 | 0.000 | (0;000) | ✗ | 07/08/17 |
Zr(MoO4)2 | ICSD | 98167 | Pmn2_1 (31) | ✗ | 22 | 160 | 3 | 2.7607 | 2.799 | 0.000 | (0;000) | ✗ | 07/08/17 |
Na(Mo2O3)2 | ICSD | 40962 | P4/mbm (127) | ✔ | 22 | 202 | 3 | 0.0 | 0.000 | 0.993 | (1;111) | ✗ | 07/08/17 |
Sn(Mo2O3)2 | COD | 4002342 | P4/mbm (127) | ✔ | 22 | 212 | 3 | 0.0 | 0.012 | 0.775 | (1;000) | ✗ | 07/08/17 |
YSn2 | ICSD | 416771 | Cmcm (63) | ✔ | 6 | 78 | 3 | 0.0 | 0.000 | 0.768 | (0;000) | ✗ | 27/01/17 |
Zn2PN3 | ICSD | 422150 | Cmc2_1 (36) | ✗ | 12 | 88 | 3 | 2.6671 | 3.367 | 0.000 | (0;000) | ✗ | 06/10/16 |
TiNi | COD | 1100132 | Pm-3m (221) | ✔ | 2 | 22 | 3 | 0.0 | 0.000 | 0.859 | (0;111) | ✗ | 27/01/17 |
NaNbO3 | ICSD | 28152 | R3c (161) | ✗ | 10 | 80 | 3 | 3.6866 | 3.714 | 0.000 | (0;000) | ✗ | 06/10/16 |
RuO2 | ICSD | 66939 | Pa3 (205) | ✔ | 12 | 112 | 3 | 0.0 | 0.073 | 0.395 | (0;000) | ✗ | 27/01/17 |
KNiF3 | COD | 5910032 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 0.0 | 0.000 | 0.596 | (0;000) | ✗ | 27/01/17 |
Nb3VS6 | ICSD | 645338 | P6_322 (182) | ✗ | 20 | 176 | 3 | 0.0 | 0.000 | 0.362 | ? | ✗ | 07/08/17 |
SrMoO2 | COD | 5910131 | I4_1/a (88) | ✔ | 16 | 144 | 3 | 0.0 | 0.002 | 0.348 | (1;111) | ✗ | 29/03/17 |
SrNb4O6 | ICSD | 79355 | P4/mmm (123) | ✔ | 22 | 196 | 3 | 0.0 | 0.003 | 0.920 | (1;001) | ✗ | 07/08/17 |
NaNbO3 | ICSD | 9645 | R3c (161) | ✗ | 10 | 80 | 3 | 3.0821 | 3.082 | 0.000 | (0;000) | ✗ | 06/10/16 |
PbWO4 | COD | 9009815 | I4_1/a (88) | ✔ | 12 | 132 | 3 | 3.1278 | 3.239 | 0.000 | (0;000) | ✗ | 07/08/17 |
TaN | COD | 1523630 | P6_3/mmc (194) | ✔ | 4 | 36 | 3 | 0.0 | 0.001 | 0.538 | (0;000) | ✗ | 27/01/17 |
SiO2 | COD | 5910147 | P6_3/mmc (194) | ✔ | 12 | 64 | 3 | 5.6701 | 5.670 | 0.000 | (0;000) | ✗ | 27/01/17 |
V2O5 | ICSD | 156052 | C2/c (15) | ✔ | 14 | 112 | 3 | 1.3792 | 1.492 | 0.000 | (0;000) | ✗ | 27/01/17 |
Y3Ge5 | ICSD | 20612 | Fdd2 (43) | ✗ | 16 | 106 | 3 | 0.0 | 0.000 | 0.778 | ? | ✗ | 22/03/17 |
ZrSn2 | ICSD | 652857 | Fddd (70) | ✔ | 6 | 64 | 3 | 0.0 | 0.023 | 0.439 | (1;111) | ✗ | 27/01/17 |
Fe3O4 | COD | 9002332 | Cmcm (63) | ✔ | 14 | 96 | 3 | 0.0 | 0.002 | 0.831 | (1;000) | ✗ | 27/01/17 |
P2Pd2O7 | ICSD | 415239 | C2/c (15) | ✔ | 22 | 176 | 3 | 0.9739 | 1.000 | 0.000 | (0;000) | ✗ | 07/08/17 |
Ti3PbO7 | ICSD | 2104 | P2_1/m (11) | ✔ | 22 | 184 | 3 | 2.3353 | 2.681 | 0.000 | (0;000) | ✗ | 07/08/17 |
Y3SbO7 | ICSD | 174071 | Cmcm (63) | ✔ | 22 | 160 | 3 | 2.9866 | 3.270 | 0.000 | (0;000) | ✗ | 07/08/17 |
MnP | ICSD | 191788 | F-43m (216) | ✗ | 2 | 20 | 3 | 0.0 | 0.028 | 0.137 | (0;000) | ✔ | 04/10/16 |
Y3TaO7 | COD | 1525169 | C222_1 (20) | ✗ | 22 | 176 | 3 | 2.5659 | 2.566 | 0.000 | (0;000) | ✗ | 07/08/17 |
Y2Ti2O7 | COD | 4030878 | Fd-3m (227) | ✔ | 22 | 176 | 3 | 3.0961 | 3.096 | 0.000 | (0;000) | ✗ | 07/08/17 |
Ti4O7 | COD | 1528719 | P-1 (2) | ✔ | 22 | 180 | 3 | 0.0 | 0.019 | 0.308 | (0;000) | ✗ | 07/08/17 |
V2Zn2O7 | ICSD | 2886 | C2/c (15) | ✔ | 22 | 184 | 3 | 2.5041 | 2.607 | 0.000 | (0;000) | ✗ | 07/08/17 |
V4O7 | COD | 1008025 | P-1 (2) | ✔ | 22 | 188 | 3 | 0.0 | 0.014 | 0.425 | (0;011) | ✗ | 07/08/17 |