▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▴ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Rb2CaH4 | ICSD | 65196 | I4/mmm (139) | ✔ | 7 | 32 | 1 | 3.3079 | 3.308 | 0.000 | (0;000) | ✗ | 27/01/17 |
BF2 | ICSD | 27867 | P2_1/c (14) | ✔ | 12 | 68 | 1 | 5.0014 | 5.057 | 0.000 | (0;000) | ✗ | 06/10/16 |
KRhF6 | ICSD | 165215 | R-3 (148) | ✔ | 8 | 68 | 1 | 0.0967 | 0.149 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2PdF6 | ICSD | 165212 | P4_2/mnm (136) | ✔ | 18 | 132 | 1 | 2.1382 | 2.139 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2PtF6 | COD | 2239770 | P4_2/mnm (136) | ✔ | 18 | 116 | 1 | 2.4866 | 2.518 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2RhF6 | COD | 1531412 | P4_2/mnm (136) | ✔ | 18 | 130 | 1 | 0.0 | 0.000 | 0.654 | (0;000) | ✗ | 27/01/17 |
Li2RuF6 | ICSD | 165210 | P4_2/mnm (136) | ✔ | 18 | 128 | 1 | 0.067 | 0.127 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2TiF6 | COD | 1000167 | P4_2/mnm (136) | ✔ | 18 | 120 | 1 | 4.0121 | 4.012 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2VF6 | ICSD | 290251 | P2_1/c (14) | ✔ | 18 | 122 | 1 | 0.0 | 0.000 | 0.769 | (0;000) | ✗ | 27/01/17 |
Li2VF6 | ICSD | 290252 | P4_2/mnm (136) | ✔ | 18 | 122 | 1 | 0.0 | 0.000 | 0.711 | (0;110) | ✗ | 27/01/17 |
SrS3 | ICSD | 23638 | Cc2e (41) | ✗ | 8 | 56 | 1 | 1.0789 | 1.079 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li2ZrF6 | COD | 1528581 | P-31m (162) | ✔ | 9 | 52 | 1 | 6.6389 | 6.759 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiNbF6 | ICSD | 165202 | R-3 (148) | ✔ | 8 | 58 | 1 | 6.0507 | 6.055 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiPF6 | ICSD | 74830 | R-3 (148) | ✔ | 8 | 50 | 1 | 8.2887 | 8.289 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiRhF6 | COD | 1531406 | R-3 (148) | ✔ | 8 | 62 | 1 | 0.0 | 0.145 | 0.151 | (0;000) | ✗ | 27/01/17 |
LiSbF6 | ICSD | 23924 | R-3 (148) | ✔ | 8 | 50 | 1 | 5.6983 | 5.698 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiTaF6 | ICSD | 165205 | R-3 (148) | ✔ | 8 | 58 | 1 | 6.9064 | 6.906 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrLiP | ICSD | 56443 | P-6m2 (187) | ✗ | 3 | 18 | 1 | 0.3973 | 0.955 | 0.000 | (0;000) | ✔ | 06/10/16 |
Li2Ca | ICSD | 413207 | Fd-3m (227) | ✔ | 6 | 32 | 1 | 0.0 | 0.001 | 0.744 | (0;000) | ✗ | 27/01/17 |
Rb2NaMnF6 | ICSD | 9708 | I4/mmm (139) | ✔ | 10 | 84 | 1 | 0.0 | 0.053 | 0.219 | (0;000) | ✗ | 27/01/17 |
LiCaN | ICSD | 107304 | Pnma (62) | ✔ | 12 | 72 | 1 | 1.437 | 1.437 | 0.000 | (0;000) | ✗ | 27/01/17 |
MoF6 | ICSD | 1879 | Im-3m (229) | ✔ | 7 | 56 | 1 | 4.5156 | 4.617 | 0.000 | (0;000) | ✗ | 02/02/17 |
Si(NF3)2 | COD | 9008033 | P-3m1 (164) | ✔ | 9 | 56 | 1 | 0.0 | 0.000 | 0.137 | (0;000) | ✗ | 27/01/17 |
Si(NF3)2 | COD | 9012469 | P-3m1 (164) | ✔ | 9 | 56 | 1 | 0.0 | 0.002 | 0.401 | (0;000) | ✗ | 27/01/17 |
Si(NF3)2 | COD | 9016696 | Fm-3m (225) | ✔ | 9 | 56 | 1 | 0.0 | 0.000 | 0.369 | (1;000) | ✗ | 27/01/17 |
V(NF2)3 | COD | 9014754 | Fm-3m (225) | ✔ | 10 | 70 | 1 | 0.0 | 0.003 | 0.251 | (0;000) | ✗ | 27/01/17 |
NaPF6 | COD | 1521416 | Fm-3m (225) | ✔ | 8 | 56 | 1 | 7.8908 | 7.891 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb2NaRhF6 | ICSD | 27341 | Fm-3m (225) | ✔ | 10 | 86 | 1 | 1.8935 | 1.894 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb2NaVF6 | ICSD | 27346 | Fm-3m (225) | ✔ | 10 | 82 | 1 | 0.0 | 0.000 | 0.478 | (0;000) | ✗ | 27/01/17 |
Li2SiO3 | ICSD | 100402 | Ccm2_1 (36) | ✗ | 12 | 56 | 1 | 5.3828 | 5.687 | 0.000 | (0;000) | ✗ | 06/10/16 |
NaTl2RhF6 | ICSD | 27340 | Fm-3m (225) | ✔ | 10 | 94 | 1 | 1.6166 | 1.617 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaSbF6 | COD | 2101697 | Fm-3m (225) | ✔ | 8 | 56 | 1 | 5.8791 | 5.879 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2SiO3 | ICSD | 16626 | Ccm2_1 (36) | ✗ | 12 | 56 | 1 | 4.9814 | 5.208 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li2SiO3 | ICSD | 853 | Ccm2_1 (36) | ✗ | 12 | 56 | 1 | 5.3811 | 5.691 | 0.000 | (0;000) | ✗ | 06/10/16 |
CaMnSi | ICSD | 66949 | P4/nmm (129) | ✔ | 6 | 58 | 1 | 0.0 | 0.000 | 0.851 | (0;001) | ✗ | 27/01/17 |
Rb2NiF6 | ICSD | 29005 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 2.3477 | 2.348 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaMnSn | ICSD | 66950 | P4/nmm (129) | ✔ | 6 | 78 | 1 | 0.0 | 0.000 | 0.845 | (0;001) | ✗ | 27/01/17 |
SrNiF6 | ICSD | 30114 | R-3m (166) | ✔ | 8 | 62 | 1 | 1.2873 | 1.297 | 0.000 | (0;000) | ✗ | 27/01/17 |
SbS2NF6 | ICSD | 170871 | C2/m (12) | ✔ | 10 | 64 | 1 | 2.5886 | 2.589 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaMoO4 | COD | 9009638 | I4_1/a (88) | ✔ | 12 | 96 | 1 | 3.4169 | 3.417 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sr2CaMoO6 | ICSD | 72815 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 2.1254 | 2.199 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaN6 | ICSD | 412259 | Fddd (70) | ✔ | 14 | 80 | 1 | 3.4748 | 3.475 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb2PdF6 | ICSD | 28675 | Fm-3m (225) | ✔ | 9 | 78 | 1 | 3.1644 | 3.164 | 0.000 | (0;000) | ✗ | 27/01/17 |
BP | ICSD | 615155 | P6_3mc (186) | ✗ | 4 | 16 | 1 | 1.5643 | 1.691 | 0.000 | (0;000) | ✗ | 06/10/16 |
GaCl3 | ICSD | 413455 | C2/m (12) | ✔ | 8 | 68 | 1 | 4.2652 | 4.266 | 0.000 | (0;000) | ✗ | 02/02/17 |
Rb2PtF6 | ICSD | 35108 | P-3m1 (164) | ✔ | 9 | 70 | 1 | 2.5945 | 2.606 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaLi5N2 | ICSD | 92314 | Pm (6) | ✗ | 8 | 34 | 1 | 0.0 | 0.133 | 0.003 | (0;000) | ✔ | 06/10/16 |
Rb2SiF6 | ICSD | 38547 | Fm-3m (225) | ✔ | 9 | 64 | 1 | 7.2838 | 7.284 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb2ZrF6 | ICSD | 25597 | P-3m1 (164) | ✔ | 9 | 64 | 1 | 5.8234 | 5.823 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbSbF6 | ICSD | 408071 | R-3 (148) | ✔ | 8 | 56 | 1 | 5.6973 | 5.697 | 0.000 | (0;000) | ✗ | 27/01/17 |