▹ Formula | ▹ Source | ▴ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CaH2CClO3 | ICSD | 95291 | C2/m (12) | ✔ | 16 | 82 | 1 | 3.5109 | 3.606 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ba3MgNb2O9 | ICSD | 95406 | P-3m1 (164) | ✔ | 15 | 120 | 3 | 2.0458 | 2.122 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ta2O5 | ICSD | 95462 | Pmmm (47) | ✔ | 7 | 56 | 3 | 0.0961 | 0.371 | 0.000 | (0;000) | ✗ | 27/01/17 |
BaZr(BO3)2 | ICSD | 95527 | R3c (161) | ✗ | 20 | 112 | 2 | 4.0582 | 4.058 | 0.000 | (0;000) | ✗ | 21/03/17 |
Ge3Ru2 | ICSD | 95589 | P-4c2 (116) | ✗ | 20 | 176 | 3 | 0.3075 | 0.314 | 0.000 | (0;000) | ✔ | 24/04/17 |
P3N5 | ICSD | 95782 | Imm2 (44) | ✗ | 8 | 40 | 3 | 2.3318 | 3.212 | 0.000 | (0;000) | ✗ | 15/02/17 |
LiZnPS4 | ICSD | 95785 | I-4 (82) | ✗ | 7 | 44 | 3 | 2.7265 | 3.156 | 0.000 | (0;000) | ✗ | 15/02/17 |
Ca3(SiIr)4 | ICSD | 95788 | I-43m (217) | ✗ | 11 | 82 | 3 | 0.0 | 0.000 | 0.576 | ? | ✗ | 06/10/16 |
NaC | ICSD | 95835 | Immm (71) | ✔ | 4 | 26 | 1 | 3.6931 | 3.727 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca2MnAlO5 | ICSD | 95986 | Ima2 (46) | ✗ | 18 | 136 | 3 | 0.0 | 0.015 | 0.765 | ? | ✗ | 16/03/17 |
CrSi2 | ICSD | 96026 | P6_422 (181) | ✗ | 9 | 66 | 3 | 0.3265 | 0.494 | 0.000 | (0;000) | ✔ | 06/10/16 |
Fe2O3 | ICSD | 96077 | Pbcn (60) | ✔ | 20 | 136 | 3 | 0.0 | 0.001 | 0.415 | (0;000) | ✗ | 27/01/17 |
Ti3Sb | ICSD | 96137 | Pm-3n (223) | ✔ | 8 | 82 | 3 | 0.0 | 0.000 | 0.908 | (1;000) | ✗ | 27/01/17 |
TiSb | ICSD | 96138 | P6_3/mmc (194) | ✔ | 4 | 34 | 3 | 0.0 | 0.000 | 0.552 | (1;000) | ✗ | 27/01/17 |
Hg2GeSe4 | ICSD | 96180 | I-4 (82) | ✗ | 7 | 52 | 3 | 0.4544 | 0.454 | 0.000 | (0;000) | ✔ | 06/10/16 |
Sc6FeSb2 | ICSD | 96247 | P-62m (189) | ✗ | 9 | 84 | 3 | 0.0 | 0.000 | 0.655 | ? | ✗ | 06/10/16 |
Y6FeSb2 | ICSD | 96248 | P-62m (189) | ✗ | 9 | 84 | 3 | 0.0 | 0.000 | 0.526 | ? | ✗ | 06/10/16 |
LiTi(SiO3)2 | ICSD | 96292 | C2/c (15) | ✔ | 20 | 118 | 3 | 0.0 | 0.000 | 0.950 | (0;011) | ✗ | 02/02/17 |
Y2C | ICSD | 96329 | R-3m (166) | ✔ | 3 | 26 | 3 | 0.0 | 0.012 | 0.308 | (1;111) | ✗ | 27/01/17 |
Sr8In4Cu3N5 | ICSD | 96350 | Immm (71) | ✔ | 20 | 190 | 1 | 0.0 | 0.058 | 0.628 | (0;000) | ✗ | 22/03/17 |
Pd2N | ICSD | 96418 | Pnnm (58) | ✔ | 6 | 82 | 3 | 0.0 | 0.000 | 0.775 | (1;011) | ✗ | 27/01/17 |
Sr3Li4(GeN3)2 | ICSD | 96422 | C2/m (12) | ✔ | 15 | 80 | 1 | 2.2416 | 2.435 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaCoO2 | ICSD | 96428 | R-3m (166) | ✔ | 4 | 38 | 2 | 0.9734 | 1.050 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiSi | ICSD | 96509 | I4_1/a (88) | ✔ | 16 | 56 | 1 | 0.0 | 0.085 | 0.336 | (1;111) | ✗ | 02/02/17 |
SrP3 | ICSD | 96543 | C2/m (12) | ✔ | 8 | 50 | 1 | 0.0 | 0.036 | 0.065 | (1;001) | ✔ | 27/01/17 |
BaP8 | ICSD | 96544 | P-1 (2) | ✔ | 18 | 100 | 1 | 0.7672 | 1.147 | 0.000 | (0;000) | ✗ | 02/02/17 |
CaFeClO2 | ICSD | 96556 | C2/m (12) | ✔ | 10 | 74 | 1 | 0.0 | 0.021 | 0.595 | (0;000) | ✗ | 27/01/17 |
K2MgCr2(H2O5)2 | ICSD | 96781 | P-1 (2) | ✔ | 19 | 120 | 2 | 2.9615 | 2.991 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2MgMo2(H2O5)2 | ICSD | 96782 | P-1 (2) | ✔ | 19 | 120 | 2 | 0.0 | 0.002 | 0.262 | (1;000) | ✗ | 02/02/17 |
Ba4Bi3 | ICSD | 96943 | I-43d (220) | ✗ | 14 | 170 | 1 | 0.0 | 0.000 | 0.721 | ? | ✗ | 21/03/17 |
Sr4Bi3 | ICSD | 96944 | I-43d (220) | ✗ | 14 | 170 | 1 | 0.0 | 0.000 | 0.579 | ? | ✗ | 21/03/17 |
TiO2 | ICSD | 97008 | Cmm2 (35) | ✗ | 12 | 96 | 2 | 0.0178 | 0.020 | 0.000 | (0;000) | ✔ | 11/04/17 |
SrTa2Bi2O9 | ICSD | 97041 | I4/mmm (139) | ✔ | 14 | 120 | 2 | 0.0 | 0.197 | 0.209 | (0;000) | ✗ | 21/03/17 |
Ba2YReO6 | ICSD | 97089 | P2_1/c (14) | ✔ | 20 | 164 | 3 | 0.0 | 0.029 | 0.393 | (0;000) | ✗ | 02/02/17 |
Pb3O4 | ICSD | 97282 | Pbam (55) | ✔ | 14 | 132 | 3 | 0.0 | 0.004 | 0.290 | (1;100) | ✗ | 02/02/17 |
SrRuO3 | ICSD | 97368 | Pnma (62) | ✔ | 20 | 176 | 3 | 0.0 | 0.021 | 0.723 | (0;000) | ✗ | 02/02/17 |
Na3Mo(OF)3 | ICSD | 97452 | R3 (146) | ✗ | 10 | 80 | 1 | 3.9124 | 4.098 | 0.000 | (0;000) | ✗ | 15/02/17 |
NaPPdS4 | ICSD | 97456 | I4/mcm (140) | ✔ | 14 | 112 | 1 | 1.1547 | 1.399 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrBiBrO2 | ICSD | 97509 | Cmcm (63) | ✔ | 10 | 88 | 1 | 2.8751 | 3.099 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrBiIO2 | ICSD | 97510 | Cmcm (63) | ✔ | 10 | 88 | 1 | 2.5655 | 2.661 | 0.000 | (0;000) | ✗ | 02/02/17 |
BaBiIO2 | ICSD | 97511 | Cmcm (63) | ✔ | 10 | 88 | 2 | 2.3517 | 2.401 | 0.000 | (0;000) | ✗ | 02/02/17 |
AlPO4 | ICSD | 97546 | C222_1 (20) | ✗ | 12 | 64 | 3 | 5.5105 | 5.511 | 0.000 | (0;000) | ✗ | 06/10/16 |
GaPO4 | ICSD | 97550 | C222_1 (20) | ✗ | 12 | 84 | 3 | 4.5581 | 4.558 | 0.000 | (0;000) | ✗ | 06/10/16 |
KY2CuS4 | ICSD | 97557 | Cmcm (63) | ✔ | 16 | 132 | 3 | 0.986 | 1.095 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ge3N4 | ICSD | 97568 | Fd-3m (227) | ✔ | 14 | 64 | 3 | 1.9214 | 1.958 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeBiO3 | ICSD | 97591 | R3c (161) | ✗ | 10 | 62 | 3 | 0.0 | 0.000 | 0.523 | ? | ✗ | 06/10/16 |
Sr2MnGaO5 | ICSD | 97598 | Ima2 (46) | ✗ | 18 | 156 | 3 | 0.0 | 0.002 | 0.753 | ? | ✗ | 22/03/17 |
Sr2CoWO6 | ICSD | 97662 | P2_1/c (14) | ✔ | 20 | 174 | 3 | 0.0 | 0.000 | 0.979 | (0;010) | ✗ | 02/02/17 |
Te | ICSD | 97742 | C2/m (12) | ✔ | 3 | 18 | 3 | 0.0 | 0.040 | 0.497 | (1;000) | ✗ | 27/01/17 |
Sr2MnWO6 | ICSD | 97745 | P2_1/c (14) | ✔ | 20 | 170 | 3 | 0.0 | 0.000 | 0.966 | (0;101) | ✗ | 02/02/17 |