▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▴ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
NaGaH8(NF3)2 | ICSD | 418737 | Fm-3m (225) | ✔ | 18 | 82 | 1 | 6.2519 | 6.252 | 0.000 | (0;000) | ✗ | 27/01/17 |
KRb2GaF6 | ICSD | 416605 | Fm-3m (225) | ✔ | 10 | 82 | 3 | 6.2312 | 6.231 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2GeF6 | COD | 1010101 | P-3m1 (164) | ✔ | 9 | 64 | 1 | 6.653 | 6.680 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2GeF6 | ICSD | 23406 | P4_2/mnm (136) | ✔ | 18 | 104 | 1 | 4.9968 | 4.997 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ge(NF3)2 | COD | 9016461 | P-3m1 (164) | ✔ | 9 | 56 | 1 | 0.0 | 0.004 | 0.336 | (0;000) | ✗ | 27/01/17 |
Rb2GeF6 | ICSD | 26633 | P-3m1 (164) | ✔ | 9 | 64 | 1 | 6.5704 | 6.579 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb2GeF6 | ICSD | 68982 | Fm-3m (225) | ✔ | 9 | 64 | 1 | 6.413 | 6.413 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaInH8(NF3)2 | ICSD | 79099 | Fm-3m (225) | ✔ | 18 | 82 | 1 | 5.5786 | 5.580 | 0.000 | (0;000) | ✗ | 27/01/17 |
SnH8(NF3)2 | ICSD | 409509 | P-3m1 (164) | ✔ | 17 | 74 | 1 | 4.8135 | 4.814 | 0.000 | (0;000) | ✗ | 27/01/17 |
TiH8(NF3)2 | ICSD | 24834 | P-3m1 (164) | ✔ | 17 | 72 | 1 | 5.2286 | 5.235 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2HfF6 | ICSD | 47244 | Fm-3m (225) | ✔ | 9 | 72 | 1 | 6.1532 | 6.153 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2HfF6 | COD | 4331655 | P-31m (162) | ✔ | 9 | 60 | 1 | 7.595 | 7.681 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb2HfF6 | ICSD | 25599 | P-3m1 (164) | ✔ | 9 | 72 | 1 | 6.4633 | 6.463 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiHg3(SF3)2 | ICSD | 23605 | P-3m1 (164) | ✔ | 12 | 94 | 3 | 2.3878 | 2.718 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2NaInF6 | ICSD | 22113 | Fm-3m (225) | ✔ | 10 | 82 | 1 | 5.6735 | 5.701 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiIrF6 | COD | 1531409 | R-3 (148) | ✔ | 8 | 62 | 1 | 0.415 | 0.552 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2NaMnF6 | ICSD | 61117 | I4/mmm (139) | ✔ | 10 | 84 | 1 | 0.0 | 0.052 | 0.331 | (0;000) | ✗ | 27/01/17 |
K2NaRhF6 | ICSD | 27342 | Fm-3m (225) | ✔ | 10 | 86 | 1 | 1.876 | 1.876 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2NaScF6 | ICSD | 65730 | Fm-3m (225) | ✔ | 10 | 80 | 1 | 6.9921 | 6.992 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2NaTlF6 | ICSD | 22114 | Fm-3m (225) | ✔ | 10 | 82 | 2 | 3.9766 | 3.977 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2NaVF6 | ICSD | 186883 | Fm-3m (225) | ✔ | 10 | 82 | 1 | 0.0 | 0.000 | 0.453 | (0;000) | ✗ | 27/01/17 |
K2NaYF6 | ICSD | 22115 | Fm-3m (225) | ✔ | 10 | 80 | 2 | 6.5571 | 6.557 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2NiF6 | ICSD | 41416 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 1.8508 | 1.851 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2PdF6 | ICSD | 27486 | P-3m1 (164) | ✔ | 9 | 78 | 1 | 2.4797 | 2.491 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2PtF6 | COD | 1528732 | P-3m1 (164) | ✔ | 9 | 70 | 1 | 2.9011 | 2.908 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2SiF6 | COD | 2106022 | Fm-3m (225) | ✔ | 9 | 64 | 1 | 7.4869 | 7.487 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2TiF6 | COD | 2010891 | P-3m1 (164) | ✔ | 9 | 72 | 1 | 5.2113 | 5.221 | 0.000 | (0;000) | ✗ | 27/01/17 |
KPF6 | ICSD | 56256 | R-3 (148) | ✔ | 8 | 56 | 1 | 7.8511 | 7.851 | 0.000 | (0;000) | ✗ | 27/01/17 |
KRb2RhF6 | ICSD | 27339 | Fm-3m (225) | ✔ | 10 | 86 | 3 | 2.069 | 2.069 | 0.000 | (0;000) | ✗ | 27/01/17 |
KRb2ScF6 | ICSD | 81683 | Fm-3m (225) | ✔ | 10 | 80 | 3 | 6.5929 | 6.593 | 0.000 | (0;000) | ✗ | 27/01/17 |
KRb2VF6 | ICSD | 27345 | Fm-3m (225) | ✔ | 10 | 82 | 3 | 0.0 | 0.000 | 0.583 | (0;000) | ✗ | 27/01/17 |
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 |
CaO2 | ICSD | 20275 | I4/mmm (139) | ✔ | 3 | 22 | 1 | 1.5999 | 1.600 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2ZrF6 | ICSD | 155020 | C2/c (15) | ✔ | 18 | 104 | 3 | 5.1502 | 5.154 | 0.000 | (0;000) | ✗ | 27/01/17 |
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 |
MgPbF6 | COD | 1527518 | R-3 (148) | ✔ | 8 | 66 | 3 | 2.8342 | 2.880 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgPdF6 | ICSD | 26163 | R-3 (148) | ✔ | 8 | 70 | 3 | 2.4552 | 2.455 | 0.000 | (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 |
MnNbF6 | COD | 1507759 | R-3 (148) | ✔ | 8 | 70 | 3 | 0.1533 | 0.229 | 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 |
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 |