▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
KAl(SO4)2 | COD | 1011235 | P321 (150) | ✗ | 12 | 72 | 2 | 1.6616 | 1.732 | 0.000 | (0;000) | ✗ | 15/02/17 |
RbTe | ICSD | 83350 | Pbam (55) | ✔ | 8 | 60 | 1 | 0.795 | 0.875 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiAlO2 | COD | 1008166 | P4_12_12 (92) | ✗ | 16 | 72 | 3 | 4.7545 | 4.755 | 0.000 | (0;000) | ✗ | 15/02/17 |
LiAlSi | ICSD | 413257 | F-43m (216) | ✗ | 3 | 10 | 3 | 0.0 | 1.721 | 0.008 | (0;000) | ✔ | 15/02/17 |
LiAlTe2 | COD | 4321120 | P3m1 (156) | ✗ | 4 | 18 | 1 | 0.0 | 0.021 | 0.162 | (0;000) | ✔ | 15/02/17 |
NaAlO2 | ICSD | 79404 | Pna2_1 (33) | ✗ | 16 | 96 | 3 | 3.9693 | 4.020 | 0.000 | (0;000) | ✗ | 15/02/17 |
AlPO4 | COD | 1010142 | I-4 (82) | ✗ | 6 | 32 | 3 | 2.4343 | 2.620 | 0.000 | (0;000) | ✗ | 15/02/17 |
LiNbO3 | ICSD | 155360 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4643 | 3.506 | 0.000 | (0;000) | ✗ | 06/10/16 |
CdSiAs2 | ICSD | 609979 | I-42d (122) | ✗ | 8 | 52 | 3 | 0.7925 | 0.794 | 0.000 | (0;000) | ✗ | 15/02/17 |
LiGaAs2O7 | ICSD | 161500 | C2 (5) | ✗ | 11 | 68 | 3 | 3.2297 | 3.364 | 0.000 | (0;000) | ✗ | 15/02/17 |
LiScAs2O7 | ICSD | 161499 | C2 (5) | ✗ | 11 | 66 | 3 | 4.194 | 4.317 | 0.000 | (0;000) | ✗ | 15/02/17 |
NaScAs2O7 | ICSD | 161501 | C2 (5) | ✗ | 11 | 72 | 3 | 4.1616 | 4.227 | 0.000 | (0;000) | ✗ | 15/02/17 |
ZnSiAs2 | ICSD | 611417 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.0819 | 1.082 | 0.000 | (0;000) | ✗ | 15/02/17 |
CaFeO2 | COD | 4124115 | P4/mmm (123) | ✔ | 4 | 30 | 2 | 0.0 | 0.009 | 0.726 | (0;000) | ✗ | 27/01/17 |
BAsO4 | ICSD | 413436 | P3_121 (152) | ✗ | 18 | 96 | 3 | 4.7353 | 4.824 | 0.000 | (0;000) | ✗ | 15/02/17 |
LiNbO3 | ICSD | 155361 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4414 | 3.465 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ag2CO3 | COD | 1007035 | P2_1/m (11) | ✔ | 12 | 88 | 3 | 0.6496 | 1.356 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaLi2AsO4 | ICSD | 73200 | Pmn2_1 (31) | ✗ | 16 | 88 | 1 | 4.4022 | 4.531 | 0.000 | (0;000) | ✗ | 15/02/17 |
Li3AsO4 | ICSD | 75927 | Pmn2_1 (31) | ✗ | 16 | 76 | 1 | 4.7571 | 4.821 | 0.000 | (0;000) | ✗ | 15/02/17 |
LiMgAs | ICSD | 107954 | F-43m (216) | ✗ | 3 | 18 | 3 | 1.2653 | 1.565 | 0.000 | (0;000) | ✗ | 15/02/17 |
LiZnAs | ICSD | 74504 | F-43m (216) | ✗ | 3 | 20 | 3 | 0.5178 | 0.518 | 0.000 | (0;000) | ✗ | 15/02/17 |
CaGa2 | ICSD | 58891 | P6_3/mmc (194) | ✔ | 6 | 72 | 2 | 0.0 | 0.018 | 0.221 | (0;000) | ✗ | 27/01/17 |
Au2O3 | COD | 2105390 | Fdd2 (43) | ✗ | 10 | 80 | 3 | 1.0569 | 1.226 | 0.000 | (0;000) | ✗ | 15/02/17 |
BaH4O3 | ICSD | 63017 | Pmc2_1 (26) | ✗ | 16 | 64 | 1 | 4.418 | 4.429 | 0.000 | (0;000) | ✗ | 15/02/17 |
ZnS | ICSD | 108733 | F-43m (216) | ✗ | 2 | 18 | 3 | 2.0623 | 2.062 | 0.000 | (0;000) | ✗ | 06/10/16 |
ReS2 | ICSD | 650077 | P-1 (2) | ✔ | 12 | 108 | 2 | 0.8083 | 0.813 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiNbO3 | ICSD | 164260 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4367 | 3.460 | 0.000 | (0;000) | ✗ | 06/10/16 |
CdSbAu | COD | 1510079 | F-43m (216) | ✗ | 3 | 28 | 3 | 0.0 | 0.000 | 0.356 | (0;000) | ✔ | 15/02/17 |
LiNbO3 | ICSD | 164933 | R3c (161) | ✗ | 10 | 68 | 3 | 3.4522 | 3.474 | 0.000 | (0;000) | ✗ | 06/10/16 |
ReSe2 | ICSD | 66658 | P-1 (2) | ✔ | 12 | 108 | 2 | 0.6829 | 0.814 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li2SbAu | COD | 1510216 | F-43m (216) | ✗ | 4 | 22 | 3 | 0.0 | 0.000 | 0.186 | (0;000) | ✔ | 15/02/17 |
NaNO2 | ICSD | 174034 | Imm2 (44) | ✗ | 4 | 26 | 1 | 2.5796 | 2.742 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiNbO3 | ICSD | 167130 | R3c (161) | ✗ | 10 | 68 | 3 | 3.0567 | 3.070 | 0.000 | (0;000) | ✗ | 06/10/16 |
MnSnAu | ICSD | 54465 | F-43m (216) | ✗ | 3 | 40 | 3 | 0.0 | 0.000 | 0.114 | (0;000) | ✔ | 15/02/17 |
CaGe2 | ICSD | 77316 | R-3m (166) | ✔ | 3 | 18 | 1 | 0.0 | 0.016 | 0.347 | (0;000) | ✗ | 27/01/17 |
AgP2 | ICSD | 35283 | P2_1/c (14) | ✔ | 12 | 84 | 2 | 0.6204 | 0.634 | 0.000 | (0;000) | ✗ | 06/10/16 |
ScSnAu | COD | 1510293 | F-43m (216) | ✗ | 3 | 36 | 3 | 0.0242 | 1.262 | 0.000 | (0;000) | ✔ | 15/02/17 |
PdCl2 | ICSD | 421220 | P2/m (10) | ✔ | 6 | 64 | 1 | 0.7541 | 1.005 | 0.000 | (0;000) | ✗ | 27/01/17 |
B2O3 | COD | 1510796 | P3_121 (152) | ✗ | 15 | 72 | 3 | 6.5637 | 6.789 | 0.000 | (0;000) | ✗ | 15/02/17 |
B2O3 | COD | 2105403 | Cmc2_1 (36) | ✗ | 10 | 48 | 3 | 8.6954 | 8.982 | 0.000 | (0;000) | ✗ | 15/02/17 |
B5H9 | ICSD | 24636 | I4mm (107) | ✗ | 14 | 24 | 1 | 4.3882 | 4.531 | 0.000 | (0;000) | ✗ | 15/02/17 |
ZnS | ICSD | 184810 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 2.4085 | 2.409 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaBePO4F | ICSD | 200922 | P1 (1) | ✗ | 16 | 100 | 1 | 6.2132 | 6.473 | 0.000 | (0;000) | ✗ | 15/02/17 |
BaBeSiO4 | ICSD | 86792 | Cm (8) | ✗ | 7 | 42 | 1 | 4.4044 | 4.449 | 0.000 | (0;000) | ✗ | 15/02/17 |
BaCa(GaO2)4 | COD | 2008101 | Imm2 (44) | ✗ | 14 | 120 | 3 | 3.2657 | 3.266 | 0.000 | (0;000) | ✗ | 15/02/17 |
ReTe2 | ICSD | 650162 | P-1 (2) | ✔ | 12 | 108 | 2 | 0.0 | 0.026 | 0.311 | (0;000) | ✗ | 02/02/17 |
LiNbO3 | ICSD | 169695 | R3c (161) | ✗ | 10 | 68 | 3 | 3.429 | 3.550 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiNbO3 | ICSD | 169696 | R3c (161) | ✗ | 10 | 68 | 3 | 3.0848 | 3.185 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaGaH5 | ICSD | 240693 | P2_1 (4) | ✗ | 14 | 56 | 1 | 3.2526 | 3.526 | 0.000 | (0;000) | ✗ | 15/02/17 |
BaSi6N8O | ICSD | 415272 | Imm2 (44) | ✗ | 16 | 80 | 3 | 4.3246 | 4.411 | 0.000 | (0;000) | ✗ | 15/02/17 |