▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BaNiO3 | ICSD | 15761 | Ccm2_1 (36) | ✗ | 10 | 76 | 1 | 1.009 | 1.179 | 0.000 | (0;000) | ✗ | 06/10/16 |
Zr(Al2Fe)4 | ICSD | 607756 | I4/mmm (139) | ✔ | 13 | 60 | 3 | 0.0 | 0.002 | 0.720 | (0;000) | ✗ | 05/01/17 |
O2 | ICSD | 99593 | P2/m (10) | ✔ | 1 | 6 | 1 | 0.0 | 0.034 | 0.399 | (0;000) | ✗ | 27/01/17 |
Bi2Pt | ICSD | 42567 | Pa3 (205) | ✔ | 12 | 80 | 3 | 0.0 | 0.008 | 0.123 | (0;000) | ✗ | 06/10/16 |
BaZnO2 | ICSD | 25559 | P3_121 (152) | ✗ | 12 | 102 | 3 | 2.3832 | 2.392 | 0.000 | (0;000) | ✗ | 06/10/16 |
Al8Mo3 | ICSD | 58002 | C2/m (12) | ✔ | 11 | 66 | 3 | 0.0 | 0.020 | 0.060 | (0;000) | ✗ | 05/01/17 |
KYTe2 | ICSD | 419995 | R-3m (166) | ✔ | 4 | 32 | 3 | 0.682 | 1.760 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaZnO2 | ICSD | 25812 | P3_121 (152) | ✗ | 12 | 102 | 3 | 2.4305 | 2.431 | 0.000 | (0;000) | ✗ | 06/10/16 |
AlAs | ICSD | 56967 | P6_3/mmc (194) | ✔ | 4 | 16 | 3 | 0.0 | 1.384 | 0.282 | (0;000) | ✗ | 05/01/17 |
NaLi2Sb | ICSD | 54244 | Fm-3m (225) | ✔ | 4 | 20 | 1 | 0.483 | 1.512 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2NiO2 | ICSD | 25000 | Immm (71) | ✔ | 5 | 28 | 1 | 0.6319 | 1.114 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2NiO2 | ICSD | 73874 | P-3m1 (164) | ✔ | 5 | 28 | 2 | 0.0 | 0.016 | 0.600 | (0;000) | ✗ | 27/01/17 |
Li2NiO3 | ICSD | 153094 | C2/m (12) | ✔ | 12 | 68 | 2 | 0.9465 | 1.169 | 0.000 | (0;000) | ✗ | 27/01/17 |
AlAu2 | ICSD | 57496 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.006 | 0.372 | (0;011) | ✗ | 05/01/17 |
HgTe | ICSD | 639251 | P3_221 (154) | ✗ | 6 | 54 | 3 | 0.0 | 0.028 | 0.057 | (0;000) | ✔ | 06/10/16 |
Bi2Pt | ICSD | 58846 | Pbca (61) | ✔ | 24 | 160 | 3 | 0.0 | 0.018 | 0.258 | (1;000) | ✗ | 06/10/16 |
Li2PdO2 | ICSD | 61199 | Immm (71) | ✔ | 5 | 36 | 2 | 0.0 | 0.039 | 0.380 | (0;000) | ✗ | 27/01/17 |
BaTiO3 | ICSD | 100463 | R3m (160) | ✗ | 5 | 40 | 3 | 2.2876 | 2.569 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li2PbO3 | ICSD | 35182 | C2/c (15) | ✔ | 12 | 76 | 3 | 1.2573 | 1.362 | 0.000 | (0;000) | ✗ | 27/01/17 |
MnAlAu2 | ICSD | 57504 | Fm-3m (225) | ✔ | 4 | 40 | 3 | 0.0 | 0.022 | 0.404 | (1;000) | ✗ | 05/01/17 |
Li2SO4 | ICSD | 153807 | Cmcm (63) | ✔ | 14 | 72 | 1 | 6.6118 | 6.850 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScAlAu2 | ICSD | 57505 | Fm-3m (225) | ✔ | 4 | 36 | 3 | 0.0 | 0.059 | 0.379 | (0;000) | ✗ | 05/01/17 |
BaTiO3 | ICSD | 100464 | R3m (160) | ✗ | 5 | 40 | 3 | 2.2876 | 2.569 | 0.000 | (0;000) | ✗ | 06/10/16 |
Bi2Pt | ICSD | 58847 | P-3 (147) | ✔ | 9 | 120 | 2 | 0.0 | 0.131 | 0.351 | (0;001) | ✗ | 02/02/17 |
BaTiO3 | ICSD | 154346 | C2mm (38) | ✗ | 5 | 40 | 3 | 0.0 | 0.012 | 0.529 | (0;110) | ✔ | 28/11/16 |
TiAlAu | ICSD | 57506 | P6_3/mmc (194) | ✔ | 6 | 52 | 3 | 0.0 | 0.011 | 0.745 | (1;000) | ✗ | 05/01/17 |
Li2ZnSi | ICSD | 642379 | P6_3/mmc (194) | ✔ | 8 | 44 | 3 | 0.0 | 0.009 | 0.590 | (0;000) | ✗ | 27/01/17 |
Li2ZnSi | ICSD | 642380 | P-3m1 (164) | ✔ | 8 | 44 | 2 | 0.0 | 0.016 | 0.354 | (1;000) | ✗ | 27/01/17 |
BaAlBO3F2 | ICSD | 91316 | P6_3/m (176) | ✔ | 16 | 96 | 2 | 6.2505 | 6.548 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaTiO3 | ICSD | 161341 | C2mm (38) | ✗ | 5 | 40 | 3 | 0.0 | 0.002 | 0.621 | (1;011) | ✔ | 06/10/16 |
TaN | ICSD | 290395 | P-6m2 (187) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.080 | (1;100) | ✔ | 04/10/16 |
Al2O3 | ICSD | 82504 | C2/m (12) | ✔ | 10 | 48 | 3 | 4.5944 | 4.693 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrLi3MnN3 | ICSD | 412874 | R-3 (148) | ✔ | 16 | 98 | 2 | 0.0 | 0.056 | 0.035 | (0;000) | ✗ | 27/01/17 |
BrF3 | ICSD | 31689 | Ccm2_1 (36) | ✗ | 8 | 56 | 1 | 2.3987 | 2.540 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiI | ICSD | 414242 | P6_3mc (186) | ✗ | 4 | 20 | 1 | 4.1367 | 4.137 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li3Zn2SbO6 | ICSD | 69189 | C2/m (12) | ✔ | 12 | 74 | 2 | 2.6662 | 2.802 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbBi2 | ICSD | 150969 | Fd-3m (227) | ✔ | 6 | 78 | 3 | 0.0 | 0.000 | 0.801 | (0;000) | ✗ | 02/02/17 |
BaTiO3 | ICSD | 161419 | C2mm (38) | ✗ | 5 | 40 | 3 | 0.0 | 0.012 | 0.481 | (0;000) | ✔ | 06/10/16 |
CaAlSiO4F | ICSD | 87663 | C2/c (15) | ✔ | 16 | 96 | 3 | 5.4487 | 5.449 | 0.000 | (0;000) | ✗ | 05/01/17 |
BaTiO3 | ICSD | 186460 | C2mm (38) | ✗ | 5 | 40 | 3 | 1.9349 | 2.048 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li4MoO5 | ICSD | 40270 | P-1 (2) | ✔ | 20 | 112 | 3 | 0.0 | 0.010 | 0.282 | (0;000) | ✗ | 27/01/17 |
Sr3Li4(SiN3)2 | ICSD | 421259 | C2/m (12) | ✔ | 15 | 80 | 1 | 2.1423 | 2.142 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li4PbO4 | ICSD | 1411 | Cmcm (63) | ✔ | 18 | 100 | 1 | 1.602 | 1.602 | 0.000 | (0;000) | ✗ | 27/01/17 |
AlCl3 | ICSD | 155670 | P-3m1 (164) | ✔ | 4 | 24 | 2 | 0.0 | 0.005 | 0.562 | (0;000) | ✗ | 05/01/17 |
Li4TiO4 | ICSD | 75164 | Cmcm (63) | ✔ | 18 | 96 | 1 | 4.6086 | 4.673 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li4SeO5 | ICSD | 410714 | C2/c (15) | ✔ | 20 | 96 | 1 | 2.9133 | 3.020 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr(Li2P)2 | ICSD | 416888 | R-3m (166) | ✔ | 7 | 32 | 1 | 0.9815 | 1.785 | 0.000 | (0;000) | ✗ | 27/01/17 |
Bi2Rh | ICSD | 43503 | P2_1/c (14) | ✔ | 12 | 188 | 3 | 0.0 | 0.014 | 0.221 | (0;101) | ✗ | 02/02/17 |
BaTiO3 | ICSD | 186461 | R3m (160) | ✗ | 5 | 40 | 3 | 2.0696 | 2.225 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li5ReO6 | ICSD | 74982 | C2/m (12) | ✔ | 12 | 66 | 1 | 2.3121 | 2.393 | 0.000 | (0;000) | ✗ | 27/01/17 |