▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
RbPdF3 | ICSD | 73166 | Pm-3m (221) | ✔ | 5 | 48 | 3 | 0.0 | 0.000 | 0.589 | (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 |
CrC | ICSD | 57008 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.000 | 0.677 | (1;000) | ✗ | 27/01/17 |
ScF3 | ICSD | 261089 | Pm-3m (221) | ✔ | 4 | 32 | 3 | 6.3805 | 6.897 | 0.000 | (0;000) | ✗ | 27/01/17 |
SnF3 | ICSD | 33786 | Fm-3m (225) | ✔ | 8 | 70 | 3 | 3.359 | 4.041 | 0.000 | (0;000) | ✗ | 27/01/17 |
TaF3 | ICSD | 30613 | Pm-3m (221) | ✔ | 4 | 34 | 3 | 0.0 | 0.000 | 0.776 | (0;000) | ✗ | 27/01/17 |
Ba2Bi | ICSD | 2141 | I4/mmm (139) | ✔ | 6 | 70 | 1 | 0.0 | 0.014 | 0.226 | (0;111) | ✗ | 02/02/17 |
NiAsS | ICSD | 20309 | P2_13 (198) | ✗ | 12 | 84 | 3 | 0.0 | 0.000 | 0.633 | ? | ✗ | 06/10/16 |
YF3 | ICSD | 26595 | Pnma (62) | ✔ | 16 | 128 | 3 | 7.8042 | 7.839 | 0.000 | (0;000) | ✗ | 27/01/17 |
NiAsS | ICSD | 53937 | P2_13 (198) | ✗ | 12 | 84 | 3 | 0.0 | 0.000 | 0.596 | ? | ✗ | 06/10/16 |
KFeF4 | ICSD | 23588 | Cmcm (63) | ✔ | 12 | 90 | 1 | 0.0 | 0.001 | 0.935 | (0;000) | ✗ | 27/01/17 |
RbFeF4 | ICSD | 85499 | P4/mbm (127) | ✔ | 12 | 90 | 2 | 0.0 | 0.000 | 0.764 | (0;000) | ✗ | 27/01/17 |
GaH4NF4 | ICSD | 410849 | I4/mcm (140) | ✔ | 20 | 100 | 2 | 5.5819 | 5.673 | 0.000 | (0;000) | ✗ | 27/01/17 |
Na2PdF4 | ICSD | 71101 | P2_1/c (14) | ✔ | 14 | 128 | 1 | 1.3759 | 1.415 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrSb2 | ICSD | 52307 | P2_1/m (11) | ✔ | 6 | 40 | 1 | 0.0 | 0.140 | 0.143 | (0;010) | ✔ | 27/01/17 |
Rb2HgF4 | ICSD | 72352 | I4/mmm (139) | ✔ | 7 | 58 | 2 | 1.7196 | 3.330 | 0.000 | (0;000) | ✗ | 27/01/17 |
K2MgF4 | ICSD | 33519 | I4/mmm (139) | ✔ | 7 | 56 | 2 | 6.6361 | 6.783 | 0.000 | (0;000) | ✗ | 27/01/17 |
AlP | ICSD | 190409 | F-43m (216) | ✗ | 2 | 8 | 3 | 1.5188 | 3.480 | 0.000 | (0;000) | ✗ | 06/10/16 |
K2PdF4 | ICSD | 33888 | C2/m (12) | ✔ | 7 | 64 | 1 | 2.0078 | 2.089 | 0.000 | (0;000) | ✗ | 27/01/17 |
GaBi | ICSD | 167768 | F-43m (216) | ✗ | 2 | 28 | 3 | 0.0 | 0.000 | 0.253 | (1;000) | ✔ | 06/10/16 |
LiMnF4 | ICSD | 62655 | P2_1/c (14) | ✔ | 12 | 92 | 2 | 0.0 | 0.015 | 0.136 | (0;000) | ✗ | 27/01/17 |
LiScF4 | ICSD | 413966 | I4_1/a (88) | ✔ | 12 | 84 | 3 | 6.3135 | 6.319 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ga2O3 | ICSD | 166198 | C2/m (12) | ✔ | 10 | 88 | 3 | 2.4727 | 2.475 | 0.000 | (0;000) | ✗ | 06/10/16 |
HfBe | ICSD | 616286 | Cmcm (63) | ✔ | 4 | 32 | 3 | 0.0 | 0.043 | 0.661 | (0;000) | ✗ | 05/01/17 |
Rb2MgF4 | ICSD | 69681 | I4/mmm (139) | ✔ | 7 | 56 | 2 | 6.5096 | 6.639 | 0.000 | (0;000) | ✗ | 27/01/17 |
NiAsS | ICSD | 93899 | P2_13 (198) | ✗ | 12 | 84 | 3 | 0.0 | 0.000 | 0.615 | ? | ✗ | 06/10/16 |
MnTlF4 | ICSD | 168525 | C2/c (15) | ✔ | 12 | 112 | 3 | 0.0 | 0.015 | 0.126 | (0;000) | ✗ | 27/01/17 |
Rb2NiF4 | ICSD | 69682 | I4/mmm (139) | ✔ | 7 | 56 | 2 | 0.0 | 0.006 | 0.710 | (0;000) | ✗ | 27/01/17 |
NiAsSe | ICSD | 93901 | P2_13 (198) | ✗ | 12 | 84 | 3 | 0.0 | 0.000 | 0.690 | ? | ✗ | 06/10/16 |
PdPbF4 | ICSD | 108992 | I4/mcm (140) | ✔ | 12 | 120 | 3 | 0.9568 | 1.005 | 0.000 | (0;000) | ✗ | 27/01/17 |
SrPdF4 | ICSD | 108990 | I4/mcm (140) | ✔ | 12 | 112 | 1 | 1.4029 | 1.403 | 0.000 | (0;000) | ✗ | 27/01/17 |
RuF4 | ICSD | 165398 | P2_1/c (14) | ✔ | 10 | 88 | 2 | 0.0 | 0.078 | 0.066 | (0;000) | ✗ | 27/01/17 |
MoC | ICSD | 618302 | Fm-3m (225) | ✔ | 2 | 18 | 3 | 0.0 | 0.000 | 0.580 | (1;000) | ✗ | 27/01/17 |
BePd3 | ICSD | 107610 | Cmcm (63) | ✔ | 8 | 116 | 3 | 0.0 | 0.005 | 0.685 | (1;000) | ✗ | 05/01/17 |
CuCN2 | ICSD | 161460 | Cmcm (63) | ✔ | 8 | 50 | 3 | 0.0 | 0.000 | 0.436 | (0;000) | ✗ | 27/01/17 |
AsPd3Pb2 | ICSD | 106267 | Cmc2_1 (36) | ✗ | 12 | 126 | 3 | 0.0 | 0.000 | 0.783 | ? | ✗ | 06/10/16 |
Rb2MnF5 | ICSD | 82218 | P4/mmm (123) | ✔ | 8 | 68 | 1 | 0.0 | 0.052 | 0.707 | (0;000) | ✗ | 27/01/17 |
PF5 | ICSD | 62554 | P6_3/mmc (194) | ✔ | 12 | 80 | 1 | 7.6983 | 7.698 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeSnF6 | ICSD | 25011 | R-3 (148) | ✔ | 8 | 64 | 3 | 0.3545 | 0.381 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZrFeF6 | ICSD | 100301 | Fm-3m (225) | ✔ | 8 | 54 | 3 | 0.612 | 0.617 | 0.000 | (0;000) | ✗ | 27/01/17 |
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 |
AsPdS | ICSD | 93903 | P2_13 (198) | ✗ | 12 | 116 | 3 | 0.0 | 0.000 | 0.603 | (1;000) | ✔ | 28/11/16 |
Li2GeF6 | ICSD | 23406 | P4_2/mnm (136) | ✔ | 18 | 104 | 1 | 4.9968 | 4.997 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ga2Se3 | ICSD | 35028 | Cc (9) | ✗ | 10 | 88 | 3 | 1.0285 | 1.029 | 0.000 | (0;000) | ✗ | 06/10/16 |
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 |
Be2Zn | ICSD | 168955 | Fmmm (69) | ✔ | 3 | 20 | 2 | 0.0 | 0.043 | 0.231 | (1;000) | ✗ | 06/10/16 |
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 |
AsPdSe | ICSD | 93904 | P2_13 (198) | ✗ | 12 | 116 | 3 | 0.0 | 0.000 | 0.714 | (0;101) | ✔ | 28/11/16 |
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 |
Tl3AsS3 | ICSD | 100292 | R3m (160) | ✗ | 7 | 62 | 3 | 0.8209 | 0.911 | 0.000 | (0;000) | ✗ | 06/10/16 |
Bi4I | ICSD | 246145 | C2/m (12) | ✔ | 20 | 108 | 3 | 0.0 | 0.059 | 0.855 | (1;001) | ✗ | 06/10/16 |
Tl3AsS3 | ICSD | 611332 | R3m (160) | ✗ | 7 | 62 | 2 | 0.0 | 0.329 | 0.096 | (0;000) | ✔ | 06/10/16 |
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 |
NaCoO2 | ICSD | 96428 | R-3m (166) | ✔ | 4 | 38 | 2 | 0.9734 | 1.050 | 0.000 | (0;000) | ✗ | 27/01/17 |
Tl3AsSe3 | ICSD | 15148 | R3m (160) | ✗ | 7 | 62 | 3 | 0.0 | 0.383 | 0.110 | (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 |
BiI3 | ICSD | 187608 | P2_1 (4) | ✗ | 8 | 52 | 3 | 0.0 | 0.431 | 0.407 | (0;000) | ✔ | 06/10/16 |
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 |
Li2ZrF6 | ICSD | 155020 | C2/c (15) | ✔ | 18 | 104 | 3 | 5.1502 | 5.154 | 0.000 | (0;000) | ✗ | 27/01/17 |
GeI2 | ICSD | 27674 | P-6m2 (187) | ✗ | 3 | 18 | 3 | 0.7466 | 0.838 | 0.000 | (0;000) | ✗ | 06/10/16 |
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 |
BiBr | ICSD | 1560 | C2/m (12) | ✔ | 16 | 96 | 2 | 0.3125 | 0.313 | 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 |
LiTaF6 | ICSD | 165205 | R-3 (148) | ✔ | 8 | 58 | 1 | 6.9064 | 6.906 | 0.000 | (0;000) | ✗ | 27/01/17 |
Tl3AsSe3 | ICSD | 603666 | R3m (160) | ✗ | 7 | 62 | 3 | 0.0 | 0.372 | 0.110 | (0;000) | ✔ | 06/10/16 |
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 |
CrH2 | ICSD | 26630 | Fm-3m (225) | ✔ | 3 | 16 | 3 | 0.0 | 0.003 | 0.442 | (1;000) | ✗ | 27/01/17 |
MoF6 | ICSD | 1879 | Im-3m (229) | ✔ | 7 | 56 | 1 | 4.5156 | 4.617 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ba2CdAs2 | ICSD | 422941 | Cmc2_1 (36) | ✗ | 10 | 84 | 1 | 0.4169 | 0.417 | 0.000 | (0;000) | ✔ | 28/11/16 |
BiBr3 | ICSD | 100293 | P2_1/c (14) | ✔ | 16 | 104 | 2 | 2.1184 | 2.183 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca(AsO3)2 | ICSD | 29534 | P312 (149) | ✗ | 9 | 56 | 2 | 3.1687 | 3.461 | 0.000 | (0;000) | ✗ | 06/10/16 |
CrO | ICSD | 109296 | Fm-3m (225) | ✔ | 2 | 20 | 3 | 0.0 | 0.010 | 0.672 | (0;000) | ✗ | 27/01/17 |
CsF | ICSD | 61563 | Pm-3m (221) | ✔ | 2 | 16 | 3 | 5.6508 | 5.651 | 0.000 | (0;000) | ✗ | 27/01/17 |
VF4 | ICSD | 65785 | P2_1/c (14) | ✔ | 10 | 82 | 2 | 0.0 | 0.000 | 0.558 | (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 |
Cr3PC | ICSD | 617527 | Cmcm (63) | ✔ | 10 | 102 | 3 | 0.0 | 0.000 | 0.956 | (0;110) | ✗ | 27/01/17 |
Rb2NaVF6 | ICSD | 27346 | Fm-3m (225) | ✔ | 10 | 82 | 1 | 0.0 | 0.000 | 0.478 | (0;000) | ✗ | 27/01/17 |