▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
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 |
CaSiO3 | ICSD | 240411 | Pm-3m (221) | ✔ | 5 | 32 | 3 | 5.0875 | 6.198 | 0.000 | (0;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 |
Rb2NaYF6 | ICSD | 25369 | Fm-3m (225) | ✔ | 10 | 80 | 2 | 6.6501 | 6.650 | 0.000 | (0;000) | ✗ | 27/01/17 |
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 |
NbVF6 | ICSD | 73353 | R-3 (148) | ✔ | 8 | 68 | 3 | 0.0 | 0.033 | 0.609 | (0;000) | ✗ | 27/01/17 |
NiPbF6 | COD | 1527520 | R-3 (148) | ✔ | 8 | 66 | 3 | 0.0 | 0.011 | 0.396 | (0;000) | ✗ | 27/01/17 |
NiPtF6 | ICSD | 37448 | R-3 (148) | ✔ | 8 | 62 | 3 | 0.0 | 0.002 | 0.461 | (0;000) | ✗ | 27/01/17 |
Rb2NiF6 | ICSD | 29005 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 2.3477 | 2.348 | 0.000 | (0;000) | ✗ | 27/01/17 |
NiSnF6 | ICSD | 25015 | R-3 (148) | ✔ | 8 | 66 | 3 | 0.0 | 0.000 | 0.415 | (0;000) | ✗ | 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 |
PtPbF6 | ICSD | 4057 | R-3m (166) | ✔ | 8 | 66 | 3 | 1.7818 | 1.946 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZnPbF6 | COD | 1527519 | R-3 (148) | ✔ | 8 | 68 | 3 | 1.4924 | 1.492 | 0.000 | (0;000) | ✗ | 27/01/17 |
PdPtF6 | ICSD | 64661 | R-3 (148) | ✔ | 8 | 70 | 3 | 0.0 | 0.002 | 0.265 | (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 |
ZnPdF6 | ICSD | 26165 | R-3 (148) | ✔ | 8 | 72 | 3 | 2.1126 | 2.113 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrPdF6 | ICSD | 73133 | R-3 (148) | ✔ | 8 | 64 | 3 | 0.0 | 0.000 | 0.785 | (0;000) | ✗ | 27/01/17 |
Rb2PtF6 | ICSD | 35108 | P-3m1 (164) | ✔ | 9 | 70 | 1 | 2.5945 | 2.606 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZnPtF6 | ICSD | 37444 | R-3 (148) | ✔ | 8 | 64 | 3 | 2.2658 | 2.266 | 0.000 | (0;000) | ✗ | 27/01/17 |
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 |
TlSbF6 | ICSD | 36264 | R-3m (166) | ✔ | 8 | 60 | 1 | 2.3033 | 2.565 | 0.000 | (0;000) | ✗ | 27/01/17 |
SF6 | ICSD | 63362 | Im-3m (229) | ✔ | 7 | 48 | 1 | 6.9017 | 6.902 | 0.000 | (0;000) | ✗ | 27/01/17 |
Tl2SiF6 | ICSD | 52292 | Fm-3m (225) | ✔ | 9 | 72 | 2 | 1.2547 | 1.589 | 0.000 | (0;000) | ✗ | 27/01/17 |
Tl2SnF6 | ICSD | 410801 | P-3m1 (164) | ✔ | 9 | 82 | 1 | 4.2428 | 4.247 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZnSnF6 | ICSD | 25012 | R-3 (148) | ✔ | 8 | 68 | 3 | 2.9957 | 3.013 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiTl2F6 | ICSD | 410802 | P-3m1 (164) | ✔ | 9 | 80 | 1 | 3.709 | 3.779 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrTiF6 | COD | 1532187 | Fm-3m (225) | ✔ | 8 | 58 | 3 | 0.0 | 0.000 | 0.676 | (0;000) | ✗ | 27/01/17 |
KSc2F7 | ICSD | 47227 | Cmmm (65) | ✔ | 10 | 80 | 3 | 5.8983 | 5.906 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ca | COD | 9012917 | Pm-3m (221) | ✔ | 1 | 10 | 1 | 0.0 | 0.000 | 0.233 | (0;000) | ✗ | 27/01/17 |
V2Pb(OF4)2 | ICSD | 424541 | P-1 (2) | ✔ | 13 | 108 | 2 | 3.0226 | 3.122 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaO | COD | 9006708 | Fm-3m (225) | ✔ | 2 | 16 | 1 | 3.649 | 4.030 | 0.000 | (0;000) | ✗ | 27/01/17 |
GaSe | ICSD | 73388 | R3m (160) | ✗ | 4 | 38 | 2 | 1.036 | 1.036 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ga2Fe2S5 | ICSD | 631804 | P-3m1 (164) | ✔ | 9 | 72 | 2 | 0.0 | 0.022 | 0.324 | (0;000) | ✗ | 27/01/17 |
Be2C | COD | 9009053 | Fm-3m (225) | ✔ | 3 | 12 | 1 | 1.1755 | 4.135 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaSrAs | ICSD | 402448 | P-62m (189) | ✗ | 9 | 72 | 1 | 0.8323 | 0.832 | 0.000 | (0;000) | ✗ | 06/10/16 |
VGaFe2 | ICSD | 631850 | Fm-3m (225) | ✔ | 4 | 42 | 3 | 0.0 | 0.090 | 0.117 | (0;000) | ✗ | 27/01/17 |
Fe2Ge | ICSD | 632021 | P6_3/mmc (194) | ✔ | 6 | 40 | 3 | 0.0 | 0.012 | 0.772 | (0;000) | ✗ | 27/01/17 |
Fe2GeO4 | COD | 9009520 | Fd-3m (227) | ✔ | 14 | 88 | 3 | 0.0 | 0.006 | 0.294 | (0;000) | ✗ | 27/01/17 |
HfFe2 | ICSD | 103498 | Fd-3m (227) | ✔ | 6 | 56 | 3 | 0.0 | 0.001 | 0.395 | (0;000) | ✗ | 27/01/17 |
CdF2 | COD | 9009006 | Fm-3m (225) | ✔ | 3 | 26 | 3 | 3.0777 | 3.498 | 0.000 | (0;000) | ✗ | 27/01/17 |
Mg(FeO2)2 | COD | 1011245 | Fd-3m (227) | ✔ | 14 | 100 | 3 | 0.0 | 0.006 | 0.342 | (0;000) | ✗ | 27/01/17 |