▹ Formula | ▹ Source | ▴ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ba2YIrO6 | ICSD | 88155 | C2/m (12) | ✔ | 10 | 84 | 3 | 0.0 | 0.337 | 0.384 | (0;000) | ✗ | 02/02/17 |
ZrVGe | ICSD | 88210 | I4/mmm (139) | ✔ | 6 | 42 | 3 | 0.0 | 0.014 | 0.710 | (0;111) | ✗ | 27/01/17 |
HfVGe | ICSD | 88211 | I4/mmm (139) | ✔ | 6 | 58 | 3 | 0.0 | 0.014 | 0.715 | (0;111) | ✗ | 27/01/17 |
SiCu2S3 | ICSD | 88235 | Cc (9) | ✗ | 12 | 88 | 3 | 1.2953 | 1.295 | 0.000 | (0;000) | ✗ | 06/10/16 |
SiCu2Se3 | ICSD | 88236 | Cc (9) | ✗ | 12 | 88 | 3 | 0.5213 | 0.523 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr2Cu2Ni(SO)2 | ICSD | 88424 | I4/mmm (139) | ✔ | 9 | 76 | 1 | 0.0 | 0.022 | 0.476 | (1;000) | ✗ | 22/03/17 |
Sr3Sc2Cu2S2O5 | ICSD | 88425 | I4/mmm (139) | ✔ | 14 | 116 | 1 | 1.5845 | 1.585 | 0.000 | (0;000) | ✗ | 22/03/17 |
NaV2Bi3O10 | ICSD | 88455 | P1 (1) | ✗ | 16 | 140 | 3 | 1.6199 | 1.676 | 0.000 | (0;000) | ✗ | 21/03/17 |
SrLi2Nb2O7 | ICSD | 88463 | I4/mmm (139) | ✔ | 12 | 84 | 2 | 1.7886 | 2.155 | 0.000 | (0;000) | ✗ | 29/03/17 |
SrLi2Ta2O7 | ICSD | 88464 | I4/mmm (139) | ✔ | 12 | 84 | 2 | 2.1506 | 2.600 | 0.000 | (0;000) | ✗ | 29/03/17 |
SbSBr | ICSD | 88587 | P2_1nb (33) | ✗ | 12 | 72 | 1 | 1.6228 | 1.792 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiV2O5 | ICSD | 88639 | Pmmn (59) | ✔ | 16 | 118 | 2 | 0.0 | 0.000 | 0.987 | (0;000) | ✗ | 27/01/17 |
BaCoO3 | ICSD | 88670 | C2mm (38) | ✗ | 10 | 74 | 1 | 0.0 | 0.000 | 0.897 | ? | ✗ | 06/10/16 |
LiP5 | ICSD | 88710 | Pna2_1 (33) | ✗ | 24 | 112 | 1 | 1.2082 | 1.218 | 0.000 | (0;000) | ✗ | 04/08/17 |
BaYCuTe3 | ICSD | 88716 | Cmcm (63) | ✔ | 12 | 100 | 2 | 0.2644 | 0.632 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaYAgTe3 | ICSD | 88717 | Cmcm (63) | ✔ | 12 | 100 | 1 | 0.4318 | 0.783 | 0.000 | (0;000) | ✗ | 30/01/17 |
NiO2 | ICSD | 88720 | C2/m (12) | ✔ | 3 | 22 | 2 | 0.9834 | 1.142 | 0.000 | (0;000) | ✗ | 06/10/16 |
Na2GeTeO6 | ICSD | 88789 | P-31c (163) | ✔ | 20 | 128 | 1 | 3.1747 | 3.278 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrGeTeO6 | ICSD | 88790 | P312 (149) | ✗ | 9 | 56 | 2 | 3.4878 | 3.771 | 0.000 | (0;000) | ✗ | 15/02/17 |
CsNb(PO4)2 | ICSD | 88870 | C2/m (12) | ✔ | 12 | 80 | 2 | 2.9869 | 3.070 | 0.000 | (0;000) | ✗ | 02/02/17 |
KNb4O5F | ICSD | 88880 | P4/mmm (123) | ✔ | 11 | 98 | 3 | 0.0 | 0.004 | 0.604 | (0;000) | ✗ | 27/01/17 |
Cu(RhO2)2 | ICSD | 88962 | Fd-3m (227) | ✔ | 14 | 138 | 3 | 0.0 | 0.000 | 0.923 | (0;000) | ✗ | 27/01/17 |
RbCa2Ta3O10 | ICSD | 89010 | P4/mmm (123) | ✔ | 16 | 128 | 2 | 2.141 | 2.351 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsCa2Ta3O10 | ICSD | 89011 | P4/mmm (123) | ✔ | 16 | 128 | 2 | 2.3868 | 2.700 | 0.000 | (0;000) | ✗ | 02/02/17 |
Na2SnTeO6 | ICSD | 89017 | P2_1/c (14) | ✔ | 20 | 148 | 3 | 1.5615 | 1.562 | 0.000 | (0;000) | ✗ | 02/02/17 |
KMnF3 | ICSD | 89343 | P2_1/m (11) | ✔ | 20 | 180 | 3 | 0.0 | 0.006 | 0.776 | (0;011) | ✗ | 02/02/17 |
SrZrO3 | ICSD | 89362 | I4/mcm (140) | ✔ | 10 | 64 | 3 | 3.0289 | 3.029 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeS | ICSD | 89381 | P2_1/c (14) | ✔ | 24 | 168 | 3 | 0.0 | 0.017 | 0.009 | (0;000) | ✗ | 04/08/17 |
SrHfO3 | ICSD | 89385 | I4/mcm (140) | ✔ | 10 | 80 | 3 | 3.9522 | 3.958 | 0.000 | (0;000) | ✗ | 27/01/17 |
VO2 | ICSD | 89471 | P2/m (10) | ✔ | 6 | 50 | 3 | 0.0 | 0.011 | 0.940 | (0;010) | ✔ | 06/10/16 |
Ca3Zn2(CuP2)2 | ICSD | 89515 | P-3m1 (164) | ✔ | 11 | 96 | 2 | 0.0 | 0.092 | 0.010 | (0;000) | ✗ | 02/02/17 |
Ca2Zn2CuP3 | ICSD | 89517 | P6_3/mmc (194) | ✔ | 16 | 140 | 2 | 0.2555 | 0.326 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiSi2N3 | ICSD | 89524 | Ccm2_1 (36) | ✗ | 12 | 52 | 3 | 5.1783 | 5.661 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sn3N4 | ICSD | 89525 | Fd-3m (227) | ✔ | 14 | 124 | 3 | 0.5158 | 0.516 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca3SiBr2 | ICSD | 89541 | R3m (160) | ✗ | 6 | 48 | 1 | 0.0 | 0.002 | 0.536 | (1;000) | ✔ | 05/12/16 |
Ca3SiBr2 | ICSD | 89542 | R3m (160) | ✗ | 6 | 48 | 1 | 0.0 | 0.004 | 0.425 | ? | ✗ | 06/10/16 |
Ca3SiBr2 | ICSD | 89543 | P-6m2 (187) | ✗ | 6 | 48 | 1 | 0.0 | 0.004 | 0.331 | ? | ✗ | 06/10/16 |
Ca3SiBr2 | ICSD | 89544 | Cm (8) | ✗ | 6 | 48 | 1 | 0.0 | 0.003 | 0.511 | ? | ✗ | 06/10/16 |
Ca3SiBr2 | ICSD | 89545 | Cm (8) | ✗ | 6 | 48 | 1 | 0.0 | 0.001 | 0.512 | ? | ✗ | 06/10/16 |
CsPdCl3 | ICSD | 89568 | Ibam (72) | ✔ | 20 | 192 | 1 | 1.4033 | 1.403 | 0.000 | (0;000) | ✗ | 22/03/17 |
RbSO2F | ICSD | 89603 | P2_1/m (11) | ✔ | 10 | 68 | 1 | 4.7165 | 4.722 | 0.000 | (0;000) | ✗ | 27/01/17 |
Mg(P2Rh3)2 | ICSD | 89610 | P-6m2 (187) | ✗ | 11 | 132 | 3 | 0.0 | 0.002 | 0.304 | ? | ✗ | 06/10/16 |
Mg(As2Rh3)2 | ICSD | 89611 | P-6m2 (187) | ✗ | 11 | 132 | 3 | 0.0 | 0.004 | 0.409 | ? | ✗ | 06/10/16 |
Ca(As2Rh3)2 | ICSD | 89612 | P-6m2 (187) | ✗ | 11 | 132 | 3 | 0.0 | 0.002 | 0.264 | (1;100) | ✔ | 05/12/16 |
Sr(As2Rh3)2 | ICSD | 89613 | P-6m2 (187) | ✗ | 11 | 132 | 3 | 0.0 | 0.003 | 0.271 | ? | ✗ | 06/10/16 |
SiCuO3 | ICSD | 89669 | Pmma (51) | ✔ | 10 | 66 | 3 | 0.0 | 0.000 | 0.860 | (0;100) | ✗ | 27/01/17 |
Ca2FeMoO6 | ICSD | 89956 | P2_1/c (14) | ✔ | 20 | 156 | 3 | 0.2263 | 0.298 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaMnO3 | ICSD | 89995 | Cmc2_1 (36) | ✗ | 10 | 86 | 1 | 0.0 | 0.000 | 0.358 | ? | ✗ | 06/10/16 |
BaMnO3 | ICSD | 89996 | Ccm2_1 (36) | ✗ | 10 | 86 | 1 | 0.0 | 0.000 | 0.355 | (1;100) | ✔ | 05/12/16 |
Sc6FeTe2 | ICSD | 90081 | P-62m (189) | ✗ | 9 | 86 | 3 | 0.0 | 0.000 | 0.534 | ? | ✗ | 06/10/16 |
Sc6NiTe2 | ICSD | 90082 | P-62m (189) | ✗ | 9 | 88 | 3 | 0.0 | 0.000 | 0.854 | ? | ✗ | 06/10/16 |
Hg2MoO4 | ICSD | 90084 | C2/c (15) | ✔ | 14 | 124 | 3 | 1.8857 | 2.248 | 0.000 | (0;000) | ✗ | 02/02/17 |
Hg2WO4 | ICSD | 90085 | C2/c (15) | ✔ | 14 | 152 | 3 | 2.0554 | 2.398 | 0.000 | (0;000) | ✗ | 11/04/17 |
K2Ag2SnSe4 | ICSD | 90119 | P2/c (13) | ✔ | 18 | 156 | 2 | 0.9661 | 0.966 | 0.000 | (0;000) | ✗ | 30/01/17 |
Sr3Co2Cl2O5 | ICSD | 90123 | I4/mmm (139) | ✔ | 12 | 108 | 1 | 0.0 | 0.028 | 0.519 | (0;111) | ✗ | 22/03/17 |
KSb(PSe3)2 | ICSD | 90152 | P2_1 (4) | ✗ | 20 | 120 | 3 | 1.769 | 1.795 | 0.000 | (0;000) | ✗ | 29/03/17 |
KBi(PSe3)2 | ICSD | 90153 | P2_1 (4) | ✗ | 20 | 140 | 3 | 1.2488 | 1.327 | 0.000 | (0;000) | ✗ | 21/03/17 |
NiGe2 | ICSD | 90341 | Cmce (64) | ✔ | 12 | 72 | 3 | 0.0 | 0.017 | 0.540 | (0;110) | ✗ | 27/01/17 |
LiNbO3 | ICSD | 90743 | R-3c (167) | ✔ | 10 | 68 | 3 | 2.6599 | 2.693 | 0.000 | (0;000) | ✗ | 06/10/16 |
Pd7Se4 | ICSD | 90788 | P2_12_12 (18) | ✗ | 22 | 300 | 3 | 0.0 | 0.003 | 0.528 | ? | ✗ | 07/08/17 |
Mg2VBiO6 | ICSD | 90908 | Cmcm (63) | ✔ | 20 | 168 | 3 | 3.0454 | 3.076 | 0.000 | (0;000) | ✗ | 07/08/17 |
GeSe2 | ICSD | 90956 | I-4 (82) | ✗ | 6 | 32 | 3 | 0.9941 | 1.393 | 0.000 | (0;000) | ✗ | 06/10/16 |
GeSe2 | ICSD | 90957 | P-4 (81) | ✗ | 12 | 64 | 3 | 0.7241 | 0.727 | 0.000 | (0;000) | ✔ | 10/10/16 |
TlF | ICSD | 90992 | Pmab (57) | ✔ | 8 | 80 | 2 | 2.8245 | 2.913 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cs2KMnF6 | ICSD | 91037 | Fm-3m (225) | ✔ | 10 | 84 | 1 | 0.0189 | 0.052 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrC2 | ICSD | 91051 | C2/c (15) | ✔ | 6 | 36 | 1 | 2.457 | 2.716 | 0.000 | (0;000) | ✗ | 06/10/16 |
CdHClO | ICSD | 91087 | P6_3mc (186) | ✗ | 8 | 52 | 2 | 2.6132 | 2.613 | 0.000 | (0;000) | ✗ | 15/02/17 |
CuHClO | ICSD | 91088 | P2_1/c (14) | ✔ | 16 | 100 | 2 | 0.0 | 0.030 | 0.337 | (0;001) | ✗ | 02/02/17 |
Sr2MnCuSO3 | ICSD | 91199 | P4/nmm (129) | ✔ | 16 | 140 | 1 | 0.0 | 0.003 | 0.963 | (0;001) | ✗ | 02/02/17 |
Na2Ti2Sb2O | ICSD | 91204 | I4/mmm (139) | ✔ | 7 | 58 | 1 | 0.0 | 0.019 | 0.592 | (0;000) | ✗ | 27/01/17 |
Li2S | ICSD | 91283 | P2_1nb (33) | ✗ | 12 | 48 | 1 | 2.808 | 3.650 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaGaBO3F2 | ICSD | 91315 | P6_3/m (176) | ✔ | 16 | 116 | 2 | 5.2302 | 5.579 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaAlBO3F2 | ICSD | 91316 | P6_3/m (176) | ✔ | 16 | 96 | 2 | 6.2505 | 6.548 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ca2BiAsO6 | ICSD | 91475 | Cmc2_1 (36) | ✗ | 20 | 152 | 1 | 3.0653 | 3.083 | 0.000 | (0;000) | ✗ | 21/03/17 |
KNi(PO3)3 | ICSD | 91527 | R3 (146) | ✗ | 14 | 88 | 3 | 0.0 | 0.000 | 0.653 | ? | ✗ | 29/03/17 |
SrCaB5H2ClO10 | ICSD | 91540 | P1 (1) | ✗ | 20 | 104 | 3 | 4.8485 | 5.036 | 0.000 | (0;000) | ✗ | 21/03/17 |
Na2TiGeO5 | ICSD | 91546 | P4/nmm (129) | ✔ | 18 | 128 | 2 | 3.3762 | 3.552 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr2CoClO3 | ICSD | 91750 | P4/nmm (129) | ✔ | 14 | 124 | 1 | 0.0 | 0.018 | 0.197 | (0;001) | ✗ | 02/02/17 |
KInP2S7 | ICSD | 91755 | C2 (5) | ✗ | 11 | 74 | 2 | 2.1891 | 2.189 | 0.000 | (0;000) | ✗ | 29/03/17 |
KVP2S7 | ICSD | 91756 | C2 (5) | ✗ | 11 | 74 | 2 | 0.0 | 0.009 | 0.724 | ? | ✗ | 29/03/17 |
YAl3(BO3)4 | ICSD | 91962 | R32 (155) | ✗ | 20 | 104 | 3 | 5.4901 | 5.616 | 0.000 | (0;000) | ✗ | 15/02/17 |
GaAgS2 | ICSD | 92052 | Cc (9) | ✗ | 8 | 72 | 3 | 1.3645 | 1.365 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaMnO3 | ICSD | 92083 | Pnma (62) | ✔ | 20 | 172 | 3 | 0.0 | 0.001 | 0.550 | (0;110) | ✗ | 22/03/17 |
Ti(FeGe)6 | ICSD | 92173 | P6/mmm (191) | ✔ | 13 | 84 | 3 | 0.0 | 0.000 | 0.494 | (0;001) | ✗ | 27/01/17 |
Na3Li3N2 | ICSD | 92311 | P-4m2 (115) | ✗ | 8 | 46 | 3 | 2.7879 | 2.788 | 0.000 | (0;000) | ✗ | 07/10/16 |
Na3Li3N2 | ICSD | 92312 | Pm (6) | ✗ | 8 | 46 | 2 | 0.0971 | 0.370 | 0.000 | (0;000) | ✔ | 06/10/16 |
NaLi5N2 | ICSD | 92314 | Pm (6) | ✗ | 8 | 34 | 1 | 0.0 | 0.133 | 0.003 | (0;000) | ✔ | 06/10/16 |
Na5LiN2 | ICSD | 92315 | C2 (5) | ✗ | 8 | 58 | 1 | 0.0 | 0.017 | 0.003 | (1;000) | ✔ | 06/10/16 |
Na5LiN2 | ICSD | 92316 | P1 (1) | ✗ | 8 | 58 | 3 | 0.0 | 0.039 | 0.116 | (0;000) | ✔ | 06/10/16 |
VRe2O9 | ICSD | 92317 | Cmc2_1 (36) | ✗ | 24 | 194 | 3 | 0.0 | 0.000 | 0.985 | ? | ✗ | 04/08/17 |
SrFeO3 | ICSD | 92335 | Pm-3m (221) | ✔ | 5 | 36 | 3 | 0.0 | 0.000 | 0.858 | (1;000) | ✗ | 27/01/17 |
YBi2ClO4 | ICSD | 92405 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 1.2683 | 1.494 | 0.000 | (0;000) | ✗ | 05/01/17 |
YBi2BrO4 | ICSD | 92418 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 1.1464 | 1.579 | 0.000 | (0;000) | ✗ | 05/01/17 |
YBi2IO4 | ICSD | 92432 | P4/mmm (123) | ✔ | 8 | 72 | 2 | 1.112 | 1.388 | 0.000 | (0;000) | ✗ | 21/03/17 |
Na2Sn(HO)6 | ICSD | 92464 | R-3 (148) | ✔ | 15 | 74 | 1 | 4.3005 | 4.530 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2H6PbO6 | ICSD | 92466 | R-3 (148) | ✔ | 15 | 74 | 1 | 2.6398 | 2.640 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li5ReN4 | ICSD | 92467 | Pmmn (59) | ✔ | 20 | 100 | 1 | 2.0104 | 2.091 | 0.000 | (0;000) | ✗ | 02/02/17 |
HgH2NCl | ICSD | 92480 | Pmma (51) | ✔ | 10 | 52 | 2 | 2.5214 | 2.604 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaSr4(BN2)3 | ICSD | 92577 | Im-3m (229) | ✔ | 14 | 88 | 1 | 2.009 | 2.830 | 0.000 | (0;000) | ✗ | 02/02/17 |
O2 | ICSD | 92775 | Cmcm (63) | ✔ | 2 | 12 | 1 | 0.0 | 0.025 | 0.339 | (0;000) | ✗ | 27/01/17 |