▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NO2 | COD | 1010516 | I2_13 (199) | ✗ | 18 | 102 | 3 | 0.0 | 0.000 | 0.859 | ? | ✗ | 29/03/17 |
PbWO2 | COD | 5910060 | I4_1/a (88) | ✔ | 16 | 160 | 3 | 0.0 | 0.057 | 0.623 | (1;111) | ✗ | 29/03/17 |
InBr | COD | 9008982 | Cmcm (63) | ✔ | 4 | 40 | 3 | 1.3219 | 1.469 | 0.000 | (0;000) | ✗ | 27/01/17 |
HgSO4 | ICSD | 31870 | Pnm2_1 (31) | ✗ | 12 | 84 | 3 | 1.2801 | 1.709 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZrCuGe2 | ICSD | 627883 | P4/nmm (129) | ✔ | 8 | 46 | 3 | 0.0 | 0.000 | 0.914 | (0;001) | ✗ | 27/01/17 |
SiO2 | ICSD | 183701 | I-43m (217) | ✗ | 18 | 96 | 3 | 5.706 | 5.711 | 0.000 | (0;000) | ✗ | 29/03/17 |
SiO2 | COD | 4124075 | P6_522 (179) | ✗ | 18 | 96 | 3 | 5.7746 | 5.912 | 0.000 | (0;000) | ✗ | 29/03/17 |
SiO2 | COD | 9006289 | Ima2 (46) | ✗ | 12 | 64 | 3 | 5.7343 | 6.013 | 0.000 | (0;000) | ✗ | 29/03/17 |
TcO2 | COD | 4124108 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.0 | 0.019 | 1.000 | (0;000) | ✗ | 29/03/17 |
GaCuPt2 | ICSD | 102928 | P4/mmm (123) | ✔ | 4 | 44 | 3 | 0.0 | 0.018 | 0.251 | (1;111) | ✗ | 27/01/17 |
HgSeO4 | ICSD | 412403 | Pnm2_1 (31) | ✗ | 12 | 84 | 3 | 1.0293 | 1.345 | 0.000 | (0;000) | ✗ | 06/10/16 |
Rh2O3 | ICSD | 181830 | Pbcn (60) | ✔ | 20 | 208 | 3 | 0.71 | 0.724 | 0.000 | (0;000) | ✗ | 29/03/17 |
TlSbO3 | ICSD | 77329 | R-3 (148) | ✔ | 10 | 72 | 3 | 0.8714 | 0.960 | 0.000 | (0;000) | ✗ | 29/03/17 |
ZnSeO3 | ICSD | 163221 | Pnma (62) | ✔ | 20 | 144 | 3 | 3.1331 | 3.445 | 0.000 | (0;000) | ✗ | 29/03/17 |
Ti2O3 | ICSD | 187466 | Pnma (62) | ✔ | 20 | 168 | 3 | 0.1059 | 0.171 | 0.000 | (0;000) | ✗ | 29/03/17 |
NiS2 | ICSD | 169574 | I4/mmm (139) | ✔ | 3 | 22 | 3 | 0.0 | 0.004 | 0.793 | (0;000) | ✗ | 06/10/16 |
Pt2PbO4 | COD | 1004132 | P-1 (2) | ✔ | 14 | 116 | 3 | 2.687 | 0.084 | 1.000 | (0;000) | ✗ | 29/03/17 |
Tl3PO4 | ICSD | 23474 | P6_3 (173) | ✗ | 16 | 136 | 3 | 2.3754 | 2.680 | 0.000 | (0;000) | ✗ | 29/03/17 |
HfCuGe2 | ICSD | 627688 | P4/nmm (129) | ✔ | 8 | 62 | 3 | 0.0 | 0.000 | 0.906 | (0;001) | ✗ | 27/01/17 |
Pb3SeO5 | COD | 9015251 | Cmc2_1 (36) | ✗ | 18 | 156 | 3 | 2.4974 | 2.498 | 0.000 | (0;000) | ✗ | 29/03/17 |
VSb2O5 | COD | 9004154 | C2/c (15) | ✔ | 16 | 106 | 3 | 0.8007 | 0.000 | 1.000 | (0;000) | ✗ | 29/03/17 |
Te2O5 | ICSD | 191342 | P2_1 (4) | ✗ | 14 | 84 | 3 | 1.4685 | 1.470 | 0.000 | (0;000) | ✗ | 29/03/17 |
Ti3O5 | ICSD | 20361 | Cmcm (63) | ✔ | 16 | 132 | 3 | 0.0 | 0.000 | 0.178 | (1;110) | ✗ | 29/03/17 |
Ti3O5 | ICSD | 26492 | C2/m (12) | ✔ | 16 | 132 | 3 | 0.0 | 0.007 | 0.418 | (0;000) | ✗ | 29/03/17 |
Ti3O5 | COD | 1527090 | C2/m (12) | ✔ | 16 | 132 | 3 | 0.0 | 0.007 | 0.552 | (1;111) | ✗ | 29/03/17 |
Ti3O5 | COD | 4512563 | C2/c (15) | ✔ | 16 | 132 | 3 | 0.0 | 0.005 | 0.399 | (1;000) | ✗ | 29/03/17 |
Re2SbO6 | ICSD | 51023 | C2/c (15) | ✔ | 18 | 142 | 3 | 7.6296 | 0.000 | 1.000 | (0;000) | ✗ | 29/03/17 |
Ta2SnO6 | COD | 9012818 | Cc (9) | ✗ | 18 | 152 | 3 | 1.9974 | 2.001 | 0.000 | (0;000) | ✗ | 29/03/17 |
Tl6TeO6 | ICSD | 37135 | R-3 (148) | ✔ | 13 | 120 | 3 | 0.7005 | 0.092 | 1.000 | (0;000) | ✗ | 29/03/17 |
SiP2O7 | ICSD | 75116 | P6_3 (173) | ✗ | 20 | 112 | 3 | 5.2461 | 5.246 | 0.000 | (0;000) | ✗ | 29/03/17 |
VP2O7 | COD | 1526398 | P2_1 (4) | ✗ | 20 | 130 | 3 | 0.0 | 0.001 | 0.537 | ? | ✗ | 29/03/17 |
VP2O7 | COD | 1530205 | I-42d (122) | ✗ | 20 | 130 | 3 | 0.0 | 0.000 | 0.889 | ? | ✗ | 29/03/17 |
SrHgPb | ICSD | 602710 | P6_3mc (186) | ✗ | 6 | 72 | 3 | 0.0 | 0.004 | 0.416 | ? | ✗ | 06/10/16 |
ZrGaCu | ICSD | 627583 | P6_3/mmc (194) | ✔ | 6 | 56 | 3 | 0.0 | 0.005 | 0.398 | (0;000) | ✗ | 27/01/17 |
In2Te3 | ICSD | 657607 | R-3m (166) | ✔ | 5 | 44 | 3 | 0.0 | 0.088 | 0.340 | (1;111) | ✗ | 27/01/17 |
CuGeO3 | COD | 1520902 | Pmma (51) | ✔ | 10 | 66 | 3 | 0.0 | 0.000 | 0.935 | (0;100) | ✗ | 27/01/17 |
Te2SO7 | ICSD | 28468 | Pmn2_1 (31) | ✗ | 20 | 120 | 3 | 2.0951 | 2.120 | 0.000 | (0;000) | ✗ | 29/03/17 |
Te2SO7 | ICSD | 643 | Pmn2_1 (31) | ✗ | 20 | 120 | 3 | 2.3945 | 2.421 | 0.000 | (0;000) | ✗ | 29/03/17 |
Te2SO7 | COD | 7035628 | Pmn2_1 (31) | ✗ | 20 | 120 | 3 | 3.4249 | 3.454 | 0.000 | (0;000) | ✗ | 29/03/17 |
YZnPO | ICSD | 418523 | R-3m (166) | ✔ | 8 | 68 | 3 | 1.278 | 1.369 | 0.000 | (0;000) | ✗ | 29/03/17 |
TiSiOs | ICSD | 647795 | Ima2 (46) | ✗ | 18 | 192 | 3 | 0.0 | 0.036 | 0.576 | ? | ✗ | 29/03/17 |
PbS | ICSD | 183245 | P-6m2 (187) | ✗ | 2 | 20 | 3 | 0.0 | 0.584 | 0.111 | (0;000) | ✔ | 06/10/16 |
Ti(PS3)2 | COD | 1528603 | Fdd2 (43) | ✗ | 18 | 116 | 3 | 1.3284 | 1.359 | 0.000 | (0;000) | ✗ | 29/03/17 |
Hg2TeO3 | ICSD | 203064 | P2cm (28) | ✗ | 12 | 96 | 3 | 1.6381 | 2.000 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sc3P2 | ICSD | 41678 | Pnma (62) | ✔ | 20 | 172 | 3 | 0.0 | 0.000 | 0.778 | (0;011) | ✗ | 29/03/17 |
Sc3P2 | ICSD | 41679 | Pnma (62) | ✔ | 20 | 172 | 3 | 0.0 | 0.000 | 0.772 | (0;011) | ✗ | 29/03/17 |
P3Pd7 | ICSD | 200055 | R3 (146) | ✗ | 20 | 282 | 3 | 0.0 | 0.002 | 0.843 | ? | ✗ | 29/03/17 |
Sc7P3 | ICSD | 648099 | P6_3mc (186) | ✗ | 20 | 184 | 3 | 0.0 | 0.000 | 0.821 | ? | ✗ | 29/03/17 |
Ti4P3 | ICSD | 648219 | I-43d (220) | ✗ | 14 | 126 | 3 | 0.0 | 0.000 | 0.966 | ? | ✗ | 29/03/17 |
NiSb2 | ICSD | 41728 | Pmnn (58) | ✔ | 6 | 40 | 3 | 0.0 | 0.107 | 0.514 | (1;000) | ✗ | 06/10/16 |
MgCuGe | ICSD | 627730 | P4/nmm (129) | ✔ | 6 | 50 | 3 | 0.0 | 0.000 | 0.761 | (0;000) | ✗ | 27/01/17 |
Pd5Pb3 | ICSD | 648361 | C2 (5) | ✗ | 16 | 264 | 3 | 0.0 | 0.007 | 0.603 | ? | ✗ | 29/03/17 |
Rh4Pb5 | COD | 1522492 | Fmmm (69) | ✔ | 18 | 276 | 3 | 0.0 | 0.013 | 0.687 | (0;101) | ✗ | 29/03/17 |
Hg2P2S7 | ICSD | 2490 | C2 (5) | ✗ | 11 | 76 | 3 | 1.9144 | 2.191 | 0.000 | (0;000) | ✗ | 06/10/16 |
HfCuGe | ICSD | 600832 | Pnma (62) | ✔ | 12 | 108 | 3 | 0.0 | 0.001 | 0.367 | (0;011) | ✗ | 27/01/17 |
TlPd3 | ICSD | 649063 | I4/mmm (139) | ✔ | 8 | 134 | 3 | 0.0 | 0.003 | 0.251 | (1;000) | ✗ | 29/03/17 |
ScSnPd | ICSD | 418976 | P-62c (190) | ✗ | 18 | 258 | 3 | 0.0 | 0.000 | 0.486 | ? | ✗ | 29/03/17 |
SrSn3Pd | COD | 1523463 | I4mm (107) | ✗ | 5 | 70 | 3 | 0.0 | 0.015 | 0.376 | (0;001) | ✔ | 29/03/17 |
YSnPd | ICSD | 424012 | Pnma (62) | ✔ | 12 | 172 | 3 | 0.0 | 0.002 | 0.722 | (0;011) | ✗ | 29/03/17 |
SbPdS | ICSD | 648757 | P2_13 (198) | ✗ | 12 | 116 | 3 | 0.0 | 0.000 | 0.570 | ? | ✗ | 29/03/17 |
Sc3P | ICSD | 648101 | Pnma (62) | ✔ | 16 | 152 | 3 | 0.0 | 0.003 | 0.250 | (0;000) | ✗ | 29/03/17 |
Te3Pt2 | ICSD | 41371 | R-3m (166) | ✔ | 10 | 76 | 3 | 0.0 | 0.026 | 0.806 | (1;111) | ✗ | 29/03/17 |
Te4Pt3 | ICSD | 41372 | R-3m (166) | ✔ | 7 | 54 | 3 | 0.0 | 0.033 | 0.760 | (0;111) | ✗ | 29/03/17 |
Y7Pt3 | ICSD | 649860 | P6_3mc (186) | ✗ | 20 | 214 | 3 | 0.0 | 0.000 | 0.521 | ? | ✗ | 29/03/17 |
Ti3Pt5 | COD | 1522192 | Ibam (72) | ✔ | 16 | 172 | 3 | 0.0 | 0.012 | 0.670 | (0;000) | ✗ | 29/03/17 |
ScSnPt | ICSD | 411822 | P-62c (190) | ✗ | 18 | 210 | 3 | 0.0 | 0.000 | 0.554 | ? | ✗ | 29/03/17 |
SrSiPt | ICSD | 604437 | P2_13 (198) | ✗ | 12 | 96 | 3 | 0.0 | 0.000 | 0.544 | ? | ✗ | 29/03/17 |
SrIn2 | ICSD | 414235 | P6_3/mmc (194) | ✔ | 6 | 72 | 3 | 0.0 | 0.058 | 0.204 | (0;000) | ✗ | 27/01/17 |
CuGeO3 | COD | 1528527 | Pmma (51) | ✔ | 10 | 66 | 3 | 0.0 | 0.000 | 0.683 | (1;010) | ✗ | 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 |
TiNi | ICSD | 157606 | Pmmb (51) | ✔ | 4 | 44 | 3 | 0.0 | 0.011 | 0.650 | (0;100) | ✗ | 06/10/16 |
RbSc5Te8 | ICSD | 245998 | C2/m (12) | ✔ | 14 | 112 | 3 | 0.048 | 0.255 | 0.000 | (0;000) | ✗ | 29/03/17 |
Sn(HgSe2)2 | ICSD | 639205 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.0 | 0.045 | 0.179 | (1;000) | ✔ | 06/10/16 |
CuGeO3 | COD | 1531289 | P2_1/c (14) | ✔ | 20 | 132 | 3 | 0.0 | 0.005 | 0.372 | (1;101) | ✗ | 27/01/17 |
TaReSi | ICSD | 600060 | Ima2 (46) | ✗ | 18 | 192 | 3 | 0.0 | 0.002 | 0.418 | ? | ✗ | 29/03/17 |
SbRh2 | ICSD | 650253 | Pnma (62) | ✔ | 12 | 156 | 3 | 32.2587 | 0.002 | 1.000 | (0;000) | ✗ | 29/03/17 |
Sn4Rh | ICSD | 174219 | I4_1/acd (142) | ✔ | 20 | 292 | 3 | 0.0 | 0.001 | 0.550 | (1;111) | ✗ | 29/03/17 |
ZrSnRh | ICSD | 410397 | P-62c (190) | ✗ | 18 | 210 | 3 | 0.0 | 0.000 | 0.507 | ? | ✗ | 29/03/17 |
ScRu2 | ICSD | 150514 | P6_3/mmc (194) | ✔ | 12 | 172 | 3 | 0.0 | 0.005 | 0.771 | (0;000) | ✗ | 29/03/17 |
ScSiRu | ICSD | 420417 | Pnma (62) | ✔ | 12 | 124 | 3 | 0.0 | 0.000 | 0.711 | (1;011) | ✗ | 29/03/17 |
TaSiRu | ICSD | 600058 | Ima2 (46) | ✗ | 18 | 198 | 3 | 0.0 | 0.000 | 0.758 | ? | ✗ | 29/03/17 |
TiSiRu | COD | 1523929 | Ima2 (46) | ✗ | 18 | 192 | 3 | 0.0 | 0.023 | 0.597 | ? | ✗ | 29/03/17 |
SiS2 | COD | 9016349 | P4_12_12 (92) | ✗ | 12 | 64 | 3 | 1.268 | 1.837 | 0.000 | (0;000) | ✗ | 29/03/17 |
VInO4 | COD | 4336636 | P2/c (13) | ✔ | 12 | 100 | 3 | 1.0414 | 1.150 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sc2S3 | ICSD | 22236 | Fddd (70) | ✔ | 20 | 160 | 3 | 0.912 | 0.927 | 0.000 | (0;000) | ✗ | 29/03/17 |
NbInO4 | COD | 1524100 | P2/c (13) | ✔ | 12 | 100 | 3 | 3.3256 | 3.449 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sc2S3 | ICSD | 650835 | Pna2_1 (33) | ✗ | 20 | 160 | 3 | 1.381 | 1.543 | 0.000 | (0;000) | ✗ | 29/03/17 |
YScS3 | ICSD | 23422 | Pna2_1 (33) | ✗ | 20 | 160 | 3 | 1.7558 | 1.858 | 0.000 | (0;000) | ✗ | 29/03/17 |
Fe3Pd | COD | 1523349 | Pm-3m (221) | ✔ | 4 | 42 | 3 | 0.0 | 0.000 | 0.957 | (0;000) | ✗ | 27/01/17 |
Tl4SiS4 | ICSD | 59170 | Cc (9) | ✗ | 18 | 160 | 3 | 0.2559 | 0.160 | 1.000 | ? | ✗ | 29/03/17 |
Ta3VS6 | ICSD | 651111 | P6_322 (182) | ✗ | 20 | 176 | 3 | 0.0 | 0.000 | 0.509 | ? | ✗ | 29/03/17 |
TlV5S8 | COD | 1524378 | C2 (5) | ✗ | 14 | 126 | 3 | 0.0 | 0.001 | 0.550 | ? | ✗ | 29/03/17 |
ZnSnSb2 | ICSD | 651588 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.008 | 0.020 | (1;000) | ✔ | 29/03/17 |
ZnSb2 | COD | 9015418 | P-4n2 (118) | ✗ | 6 | 44 | 3 | 0.0 | 0.012 | 0.273 | (0;011) | ✔ | 29/03/17 |
Y4Sb3 | ICSD | 651736 | I-43d (220) | ✗ | 14 | 118 | 3 | 0.0 | 0.000 | 0.865 | ? | ✗ | 29/03/17 |
Zr3Sb | ICSD | 651786 | I-4 (82) | ✗ | 16 | 68 | 3 | 0.0 | 0.010 | 0.462 | ? | ✗ | 29/03/17 |
Sc2Se3 | ICSD | 651804 | Fddd (70) | ✔ | 20 | 160 | 3 | 0.4329 | 0.473 | 0.000 | (0;000) | ✗ | 29/03/17 |
Sc2Te3 | COD | 9008008 | Fddd (70) | ✔ | 20 | 160 | 3 | 0.0 | 0.006 | 0.217 | (1;111) | ✗ | 29/03/17 |
Sc5Sn3 | ICSD | 651829 | P6_3/mcm (193) | ✔ | 16 | 194 | 3 | 0.0 | 0.000 | 0.821 | (0;000) | ✗ | 29/03/17 |
Sc | COD | 4326666 | Ia3 (206) | ✔ | 16 | 176 | 3 | 0.0 | 0.000 | 0.865 | (1;000) | ✗ | 29/03/17 |