▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ca3GeO | ICSD | 402087 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 0.0 | 0.015 | 0.008 | (0;000) | ✗ | 27/01/17 |
Li4Ca3(SiN3)2 | ICSD | 420675 | C2/m (12) | ✔ | 15 | 80 | 1 | 2.3217 | 2.395 | 0.000 | (0;000) | ✗ | 27/01/17 |
SO2 | ICSD | 24645 | C2ce (41) | ✗ | 6 | 36 | 1 | 2.7868 | 3.412 | 0.000 | (0;000) | ✗ | 06/10/16 |
N3Cl | ICSD | 424502 | Cmc2_1 (36) | ✗ | 8 | 44 | 1 | 2.3446 | 2.370 | 0.000 | (0;000) | ✗ | 06/10/16 |
KNO2 | ICSD | 36202 | Cm (8) | ✗ | 4 | 26 | 1 | 0.0 | 0.017 | 0.075 | (1;100) | ✔ | 06/10/16 |
KNO3 | ICSD | 260601 | R3m (160) | ✗ | 5 | 32 | 1 | 3.1468 | 3.147 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrF2 | COD | 9016413 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 7.1886 | 7.257 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca3N2 | ICSD | 419865 | R-3c (167) | ✔ | 10 | 80 | 1 | 0.792 | 0.955 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca3PN | COD | 1527232 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 0.8179 | 0.818 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca3TlN | ICSD | 411448 | Pm-3m (221) | ✔ | 5 | 48 | 1 | 0.0 | 0.000 | 0.648 | (1;000) | ✗ | 27/01/17 |
KNO3 | ICSD | 260602 | R3m (160) | ✗ | 5 | 32 | 1 | 3.0852 | 3.085 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca3(PO4)2 | COD | 9005865 | R-3m (166) | ✔ | 13 | 88 | 1 | 5.5912 | 5.591 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca3V2O8 | COD | 9014364 | C2/m (12) | ✔ | 13 | 104 | 1 | 3.4615 | 3.672 | 0.000 | (0;000) | ✗ | 27/01/17 |
KNO3 | ICSD | 384 | R3m (160) | ✗ | 5 | 32 | 1 | 1.7583 | 1.758 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca3PbO | COD | 1525462 | Pm-3m (221) | ✔ | 5 | 50 | 1 | 0.0 | 0.016 | 0.004 | (0;000) | ✗ | 27/01/17 |
Ca3SnO | COD | 1525461 | Pm-3m (221) | ✔ | 5 | 50 | 1 | 0.0 | 0.019 | 0.016 | (0;000) | ✗ | 27/01/17 |
KNO3 | ICSD | 71398 | R3m (160) | ✗ | 5 | 32 | 1 | 3.3139 | 3.314 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca3Pb | ICSD | 58921 | Pm-3m (221) | ✔ | 4 | 44 | 1 | 0.0 | 0.000 | 0.240 | (1;111) | ✗ | 27/01/17 |
Ca4P2O | ICSD | 402952 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 1.2767 | 1.470 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca4Sb2O | COD | 7221475 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 0.7252 | 0.988 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaCl2 | COD | 9009084 | Pnnm (58) | ✔ | 6 | 48 | 1 | 5.3948 | 5.395 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiPt | ICSD | 248491 | Pmnb (62) | ✔ | 8 | 56 | 1 | 0.0138 | 0.018 | 0.000 | (0;000) | ✗ | 06/10/16 |
KSnSb | ICSD | 33933 | P6_3mc (186) | ✗ | 6 | 56 | 1 | 0.2551 | 0.301 | 0.000 | (0;000) | ✔ | 06/10/16 |
CaFeClO2 | ICSD | 96556 | C2/m (12) | ✔ | 10 | 74 | 1 | 0.0 | 0.021 | 0.595 | (0;000) | ✗ | 27/01/17 |
CaClF | COD | 9011173 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 5.6094 | 5.609 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaHCl | COD | 9009165 | P4/nmm (129) | ✔ | 6 | 36 | 1 | 4.3405 | 4.341 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaCl | COD | 9008985 | P4/nmm (129) | ✔ | 4 | 34 | 1 | 0.0 | 0.000 | 0.749 | (1;001) | ✗ | 27/01/17 |
CaCoSi | ICSD | 428148 | P4/nmm (129) | ✔ | 6 | 62 | 1 | 0.0 | 0.000 | 0.814 | (0;001) | ✗ | 27/01/17 |
KSnSb | ICSD | 40816 | P6_3mc (186) | ✗ | 6 | 56 | 1 | 0.3258 | 0.378 | 0.000 | (0;000) | ✔ | 06/10/16 |
POF3 | ICSD | 250498 | P-3m1 (164) | ✔ | 10 | 64 | 1 | 6.2121 | 6.319 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaCrF5 | COD | 1525475 | C2/c (15) | ✔ | 14 | 118 | 1 | 0.0 | 0.001 | 0.567 | (1;011) | ✗ | 27/01/17 |
CaCrF6 | COD | 1525280 | R-3 (148) | ✔ | 8 | 66 | 1 | 0.0 | 0.021 | 0.350 | (0;000) | ✗ | 27/01/17 |
CaCrO4 | COD | 1010939 | I4_1/amd (141) | ✔ | 12 | 96 | 1 | 2.8326 | 2.833 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2PbO3 | ICSD | 22063 | Cmc2_1 (36) | ✗ | 12 | 100 | 1 | 0.9829 | 0.983 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cs2CaF4 | ICSD | 82616 | I4/mmm (139) | ✔ | 7 | 56 | 1 | 6.3925 | 6.507 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb2Te | ICSD | 55115 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 1.7624 | 1.976 | 0.000 | (0;000) | ✗ | 06/10/16 |
K3SbS4 | ICSD | 41895 | I-43m (217) | ✗ | 8 | 56 | 1 | 2.2119 | 2.258 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiMnSe2 | ICSD | 50817 | P3m1 (156) | ✗ | 4 | 30 | 1 | 0.0 | 0.002 | 0.677 | (1;100) | ✔ | 06/10/16 |
CaCuF4 | ICSD | 9928 | I4/mcm (140) | ✔ | 12 | 98 | 1 | 0.0 | 0.001 | 0.620 | (0;000) | ✗ | 27/01/17 |
LiMnTe2 | ICSD | 110773 | P3m1 (156) | ✗ | 4 | 30 | 1 | 0.0 | 0.002 | 0.716 | (1;100) | ✔ | 06/10/16 |
CaF2 | ICSD | 656449 | Pnma (62) | ✔ | 12 | 96 | 1 | 8.4981 | 8.498 | 0.000 | (0;000) | ✗ | 27/01/17 |
KFeF4 | ICSD | 23588 | Cmcm (63) | ✔ | 12 | 90 | 1 | 0.0 | 0.001 | 0.935 | (0;000) | ✗ | 27/01/17 |
KCaF3 | ICSD | 154074 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 6.2019 | 6.356 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiNiN | ICSD | 411151 | P-6m2 (187) | ✗ | 3 | 18 | 1 | 0.0 | 0.000 | 0.968 | (1;100) | ✔ | 06/10/16 |
Na2PdF4 | ICSD | 71101 | P2_1/c (14) | ✔ | 14 | 128 | 1 | 1.3759 | 1.415 | 0.000 | (0;000) | ✗ | 27/01/17 |
KH3F4 | COD | 4124451 | R-3c (167) | ✔ | 16 | 80 | 1 | 6.4747 | 6.534 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na5LiN2 | ICSD | 92315 | C2 (5) | ✗ | 8 | 58 | 1 | 0.0 | 0.017 | 0.003 | (1;000) | ✔ | 06/10/16 |
RbCaF3 | COD | 1530112 | Pm-3m (221) | ✔ | 5 | 40 | 1 | 6.635 | 6.752 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaH2F4 | ICSD | 419144 | Fddd (70) | ✔ | 14 | 80 | 1 | 7.8159 | 7.816 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2PdF4 | ICSD | 33888 | C2/m (12) | ✔ | 7 | 64 | 1 | 2.0078 | 2.089 | 0.000 | (0;000) | ✗ | 27/01/17 |