▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
BaC2 | ICSD | 88102 | C2/c (15) | ✔ | 6 | 36 | 1 | 1.9008 | 2.015 | 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 |
TiH | ICSD | 168325 | P4_2/mmc (131) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.512 | (0;011) | ✗ | 06/10/16 |
KRb2RhF6 | ICSD | 27339 | Fm-3m (225) | ✔ | 10 | 86 | 3 | 2.069 | 2.069 | 0.000 | (0;000) | ✗ | 27/01/17 |
Si(NF3)2 | COD | 9008033 | P-3m1 (164) | ✔ | 9 | 56 | 1 | 0.0 | 0.000 | 0.137 | (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 |
Li2TiF6 | COD | 1000167 | P4_2/mnm (136) | ✔ | 18 | 120 | 1 | 4.0121 | 4.012 | 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 |
ZrH | ICSD | 169451 | P4_2/mmc (131) | ✔ | 4 | 26 | 3 | 0.0 | 0.000 | 0.564 | (0;011) | ✗ | 06/10/16 |
CaC2 | ICSD | 24074 | C2/c (15) | ✔ | 6 | 36 | 1 | 2.3901 | 2.972 | 0.000 | (0;000) | ✗ | 06/10/16 |
Li2RuF6 | ICSD | 165210 | P4_2/mnm (136) | ✔ | 18 | 128 | 1 | 0.067 | 0.127 | 0.000 | (0;000) | ✗ | 27/01/17 |
HfH2 | ICSD | 24721 | I4/mmm (139) | ✔ | 3 | 14 | 3 | 0.0 | 0.155 | 0.144 | (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 |
Li2ZrF6 | COD | 1528581 | P-31m (162) | ✔ | 9 | 52 | 1 | 6.6389 | 6.759 | 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 |
ZrH2 | ICSD | 24624 | I4/mmm (139) | ✔ | 3 | 14 | 3 | 0.0 | 0.045 | 0.153 | (0;000) | ✗ | 06/10/16 |
Te3As2 | ICSD | 18208 | C2/m (12) | ✔ | 10 | 56 | 2 | 0.3627 | 0.397 | 0.000 | (0;000) | ✔ | 06/10/16 |
Li2ZrF6 | ICSD | 155020 | C2/c (15) | ✔ | 18 | 104 | 3 | 5.1502 | 5.154 | 0.000 | (0;000) | ✗ | 27/01/17 |
YH3 | ICSD | 180317 | Cmcm (63) | ✔ | 8 | 28 | 3 | 0.0 | 0.036 | 0.026 | (1;000) | ✗ | 06/10/16 |
Li2VF6 | ICSD | 290252 | P4_2/mnm (136) | ✔ | 18 | 122 | 1 | 0.0 | 0.000 | 0.711 | (0;110) | ✗ | 27/01/17 |
MoF6 | ICSD | 1879 | Im-3m (229) | ✔ | 7 | 56 | 1 | 4.5156 | 4.617 | 0.000 | (0;000) | ✗ | 02/02/17 |
LiTaF6 | ICSD | 165205 | R-3 (148) | ✔ | 8 | 58 | 1 | 6.9064 | 6.906 | 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 |
GeH4 | ICSD | 183081 | Cmmm (65) | ✔ | 5 | 8 | 3 | 0.0 | 0.030 | 0.655 | (1;110) | ✗ | 06/10/16 |
CaC2 | ICSD | 290833 | C2/m (12) | ✔ | 6 | 36 | 1 | 2.378 | 2.794 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiSbF6 | ICSD | 23924 | R-3 (148) | ✔ | 8 | 50 | 1 | 5.6983 | 5.698 | 0.000 | (0;000) | ✗ | 27/01/17 |
HfIr | ICSD | 185633 | Pmmb (51) | ✔ | 4 | 42 | 3 | 0.0 | 0.000 | 0.688 | (1;100) | ✗ | 06/10/16 |
LiRhF6 | COD | 1531406 | R-3 (148) | ✔ | 8 | 62 | 1 | 0.0 | 0.145 | 0.151 | (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 |
MgPbF6 | COD | 1527518 | R-3 (148) | ✔ | 8 | 66 | 3 | 2.8342 | 2.880 | 0.000 | (0;000) | ✗ | 27/01/17 |
HfNi | ICSD | 638689 | Cmcm (63) | ✔ | 4 | 44 | 3 | 0.0 | 0.060 | 0.384 | (1;000) | ✗ | 27/01/17 |
Tl2O | ICSD | 77699 | C2/m (12) | ✔ | 6 | 64 | 1 | 0.402 | 0.482 | 0.000 | (0;000) | ✔ | 06/10/16 |
Rb2NaMnF6 | ICSD | 9708 | I4/mmm (139) | ✔ | 10 | 84 | 1 | 0.0 | 0.053 | 0.219 | (0;000) | ✗ | 27/01/17 |
HfPd | ICSD | 185631 | Ccmm (63) | ✔ | 4 | 44 | 3 | 0.0 | 0.024 | 0.295 | (1;000) | ✗ | 06/10/16 |
MgPdF6 | ICSD | 26163 | R-3 (148) | ✔ | 8 | 70 | 3 | 2.4552 | 2.455 | 0.000 | (0;000) | ✗ | 27/01/17 |
Fe3Se4 | ICSD | 633484 | C2/m (12) | ✔ | 7 | 48 | 2 | 0.0 | 0.012 | 0.755 | (0;111) | ✗ | 27/01/17 |
Fe2GeO4 | COD | 9009520 | Fd-3m (227) | ✔ | 14 | 88 | 3 | 0.0 | 0.006 | 0.294 | (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 |
NiPbF6 | COD | 1527520 | R-3 (148) | ✔ | 8 | 66 | 3 | 0.0 | 0.011 | 0.396 | (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 |
V(NF2)3 | COD | 9014754 | Fm-3m (225) | ✔ | 10 | 70 | 1 | 0.0 | 0.003 | 0.251 | (0;000) | ✗ | 27/01/17 |
HfPd5 | ICSD | 168289 | Cmmm (65) | ✔ | 6 | 62 | 2 | 0.0 | 0.001 | 0.683 | (1;111) | ✗ | 06/10/16 |
IrC2 | ICSD | 181488 | C2/m (12) | ✔ | 6 | 34 | 3 | 0.0 | 0.078 | 0.242 | (0;000) | ✔ | 06/10/16 |
Rb2NaRhF6 | ICSD | 27341 | Fm-3m (225) | ✔ | 10 | 86 | 1 | 1.8935 | 1.894 | 0.000 | (0;000) | ✗ | 27/01/17 |
HfPt | ICSD | 638781 | Cmcm (63) | ✔ | 4 | 44 | 3 | 0.0 | 0.014 | 0.435 | (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 |
NbVF6 | ICSD | 73353 | R-3 (148) | ✔ | 8 | 68 | 3 | 0.0 | 0.033 | 0.609 | (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 |
HfS2 | ICSD | 601164 | P-3m1 (164) | ✔ | 3 | 24 | 2 | 0.9936 | 1.854 | 0.000 | (0;000) | ✗ | 06/10/16 |
CrS2 | ICSD | 75420 | C2/m (12) | ✔ | 3 | 26 | 2 | 0.0 | 0.051 | 0.157 | (0;100) | ✔ | 04/10/16 |
NaSbF6 | COD | 2101697 | Fm-3m (225) | ✔ | 8 | 56 | 1 | 5.8791 | 5.879 | 0.000 | (0;000) | ✗ | 27/01/17 |
HfSi | ICSD | 53040 | Pnma (62) | ✔ | 8 | 64 | 3 | 0.0 | 0.046 | 0.093 | (1;000) | ✗ | 27/01/17 |
NaTl2RhF6 | ICSD | 27340 | Fm-3m (225) | ✔ | 10 | 94 | 1 | 1.6166 | 1.617 | 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 |
SrNiF6 | ICSD | 30114 | R-3m (166) | ✔ | 8 | 62 | 1 | 1.2873 | 1.297 | 0.000 | (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 |
HfSi2 | ICSD | 16697 | Cmcm (63) | ✔ | 6 | 40 | 3 | 0.0 | 0.025 | 0.327 | (1;000) | ✗ | 06/10/16 |
SrC2 | ICSD | 91051 | C2/c (15) | ✔ | 6 | 36 | 1 | 2.457 | 2.716 | 0.000 | (0;000) | ✗ | 06/10/16 |
NiSnF6 | ICSD | 25015 | R-3 (148) | ✔ | 8 | 66 | 3 | 0.0 | 0.000 | 0.415 | (0;000) | ✗ | 27/01/17 |
HfTe5 | ICSD | 85508 | Cmcm (63) | ✔ | 12 | 84 | 2 | 0.0829 | 0.086 | 0.000 | (1;110) | ✗ | 06/10/16 |
Rb2NiF6 | ICSD | 29005 | Fm-3m (225) | ✔ | 9 | 70 | 1 | 2.3477 | 2.348 | 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 |
PtPbF6 | ICSD | 4057 | R-3m (166) | ✔ | 8 | 66 | 3 | 1.7818 | 1.946 | 0.000 | (0;000) | ✗ | 27/01/17 |
Hf3Sc | ICSD | 168284 | Ccmm (63) | ✔ | 8 | 94 | 3 | 0.0 | 0.000 | 0.590 | (1;110) | ✗ | 06/10/16 |
SbS2NF6 | ICSD | 170871 | C2/m (12) | ✔ | 10 | 64 | 1 | 2.5886 | 2.589 | 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 |
Hf5Te4 | ICSD | 154358 | I4/m (87) | ✔ | 9 | 84 | 3 | 0.0 | 0.001 | 0.544 | (1;111) | ✗ | 02/02/17 |
ZnPbF6 | COD | 1527519 | R-3 (148) | ✔ | 8 | 68 | 3 | 1.4924 | 1.492 | 0.000 | (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 |
TiTl2F6 | ICSD | 410802 | P-3m1 (164) | ✔ | 9 | 80 | 1 | 3.709 | 3.779 | 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 |
Rb2PtF6 | ICSD | 35108 | P-3m1 (164) | ✔ | 9 | 70 | 1 | 2.5945 | 2.606 | 0.000 | (0;000) | ✗ | 27/01/17 |
KHg | ICSD | 104302 | P-1 (2) | ✔ | 8 | 84 | 3 | 0.0 | 0.028 | 0.152 | (0;010) | ✗ | 06/10/16 |
P3Au2 | ICSD | 8058 | C2/m (12) | ✔ | 10 | 74 | 3 | 0.0 | 0.089 | 0.119 | (1;100) | ✔ | 04/10/16 |
Rb2SiF6 | ICSD | 38547 | Fm-3m (225) | ✔ | 9 | 64 | 1 | 7.2838 | 7.284 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaHg | ICSD | 104326 | Ccmm (63) | ✔ | 8 | 84 | 3 | 0.0 | 0.014 | 0.562 | (0;000) | ✗ | 06/10/16 |
ZnPtF6 | ICSD | 37444 | R-3 (148) | ✔ | 8 | 64 | 3 | 2.2658 | 2.266 | 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 |
TlSbF6 | ICSD | 36264 | R-3m (166) | ✔ | 8 | 60 | 1 | 2.3033 | 2.565 | 0.000 | (0;000) | ✗ | 27/01/17 |
HgTe | ICSD | 162604 | Ccmm (63) | ✔ | 4 | 36 | 3 | 0.0 | 0.055 | 0.417 | (0;110) | ✗ | 06/10/16 |
RbSbF6 | ICSD | 408071 | R-3 (148) | ✔ | 8 | 56 | 1 | 5.6973 | 5.697 | 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 |
NiHg4 | ICSD | 151197 | Im-3m (229) | ✔ | 5 | 58 | 3 | 0.0 | 0.120 | 0.417 | (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 |
VGaFe2 | ICSD | 631850 | Fm-3m (225) | ✔ | 4 | 42 | 3 | 0.0 | 0.090 | 0.117 | (0;000) | ✗ | 27/01/17 |
Fe11Si5 | ICSD | 77369 | Pm-3m (221) | ✔ | 16 | 108 | 3 | 0.0 | 0.000 | 0.648 | (1;111) | ✗ | 27/01/17 |
KSc2F7 | ICSD | 47227 | Cmmm (65) | ✔ | 10 | 80 | 3 | 5.8983 | 5.906 | 0.000 | (0;000) | ✗ | 27/01/17 |
Hg4Pt | ICSD | 639148 | Im-3m (229) | ✔ | 5 | 58 | 3 | 0.0 | 0.659 | 0.309 | (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 |
V2Pb(OF4)2 | ICSD | 424541 | P-1 (2) | ✔ | 13 | 108 | 2 | 3.0226 | 3.122 | 0.000 | (0;000) | ✗ | 27/01/17 |
InI | ICSD | 38129 | Ccmm (63) | ✔ | 4 | 40 | 3 | 1.1696 | 1.170 | 0.000 | (0;000) | ✗ | 06/10/16 |
Fe3H4(OF4)2 | ICSD | 37140 | C2/m (12) | ✔ | 17 | 96 | 3 | 0.0 | 0.055 | 0.380 | (0;111) | ✗ | 27/01/17 |
MnGaFe2 | ICSD | 186722 | P4/mmm (123) | ✔ | 4 | 44 | 3 | 0.0 | 0.003 | 0.761 | (0;100) | ✗ | 27/01/17 |
Fe13Ge3 | ICSD | 150584 | Pm-3m (221) | ✔ | 16 | 116 | 3 | 0.0 | 0.000 | 0.690 | (1;111) | ✗ | 27/01/17 |
InI | ICSD | 55181 | Cmcm (63) | ✔ | 4 | 40 | 3 | 0.7644 | 0.832 | 0.000 | (0;000) | ✗ | 06/10/16 |
AlN | COD | 1523095 | Fm-3m (225) | ✔ | 2 | 8 | 3 | 5.1878 | 6.629 | 0.000 | (0;000) | ✗ | 05/01/17 |
MnGaFe2 | ICSD | 186721 | Fm-3m (225) | ✔ | 4 | 44 | 3 | 0.0 | 0.000 | 0.758 | (1;000) | ✗ | 27/01/17 |
TlI | ICSD | 26761 | Ccmm (63) | ✔ | 4 | 40 | 2 | 1.4715 | 1.656 | 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 |
Sc2Fe3Si | ICSD | 633437 | P6_3/mmc (194) | ✔ | 12 | 100 | 3 | 0.0 | 0.001 | 0.641 | (0;000) | ✗ | 27/01/17 |