▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▴ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CuSn | COD | 9008892 | P6_3/mmc (194) | ✔ | 4 | 50 | 3 | 0.0 | 0.000 | 0.735 | (1;000) | ✗ | 27/01/17 |
CuTe | COD | 1526237 | Pmmn (59) | ✔ | 4 | 34 | 2 | 0.0 | 0.000 | 0.915 | (1;001) | ✗ | 27/01/17 |
SF6 | ICSD | 214 | Im-3m (229) | ✔ | 7 | 48 | 1 | 8.4913 | 8.491 | 0.000 | (0;000) | ✗ | 06/10/16 |
CuS | COD | 9008372 | P6_3/mmc (194) | ✔ | 12 | 102 | 3 | 0.0 | 0.000 | 0.929 | (1;000) | ✗ | 27/01/17 |
Sr2Fe2S2OF2 | ICSD | 249688 | I4/mmm (139) | ✔ | 9 | 68 | 1 | 0.0 | 0.003 | 0.475 | (0;000) | ✗ | 27/01/17 |
ZrCu | ICSD | 167595 | P2_1/m (11) | ✔ | 4 | 30 | 3 | 0.0 | 0.000 | 0.555 | (0;001) | ✗ | 27/01/17 |
FeO | ICSD | 82236 | R-3m (166) | ✔ | 2 | 14 | 3 | 0.0 | 0.086 | 0.246 | (0;000) | ✗ | 06/10/16 |
Zr2Cu | COD | 4310034 | C2/m (12) | ✔ | 6 | 38 | 0 | 0.0 | 0.006 | 0.668 | (0;000) | ✗ | 27/01/17 |
PHPb2F10 | ICSD | 419142 | P-1 (2) | ✔ | 14 | 104 | 2 | 4.8537 | 5.026 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeP2 | ICSD | 15027 | Pmnn (58) | ✔ | 6 | 36 | 3 | 0.4006 | 0.861 | 0.000 | (0;000) | ✗ | 06/10/16 |
V2C | ICSD | 108192 | Pbcn (60) | ✔ | 12 | 120 | 3 | 0.0 | 0.006 | 0.151 | (0;000) | ✗ | 27/01/17 |
SrF2 | ICSD | 168801 | P6_3/mmc (194) | ✔ | 6 | 48 | 2 | 6.438 | 6.666 | 0.000 | (0;000) | ✗ | 27/01/17 |
MnF2 | ICSD | 20365 | Pbcn (60) | ✔ | 12 | 116 | 3 | 0.0 | 0.000 | 0.446 | (1;101) | ✗ | 27/01/17 |
KHF2 | COD | 1009029 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 7.1061 | 7.160 | 0.000 | (0;000) | ✗ | 27/01/17 |
H4NF2 | ICSD | 87361 | R-3m (166) | ✔ | 14 | 46 | 1 | 0.0 | 0.011 | 0.428 | (0;000) | ✗ | 27/01/17 |
FeS2 | ICSD | 15012 | Pa3 (205) | ✔ | 12 | 80 | 3 | 0.5231 | 0.568 | 0.000 | (0;000) | ✗ | 06/10/16 |
GaH5(NF)2 | ICSD | 410880 | C2/m (12) | ✔ | 20 | 84 | 2 | 3.1791 | 3.354 | 0.000 | (0;000) | ✗ | 27/01/17 |
HgF2 | COD | 9009017 | Fm-3m (225) | ✔ | 3 | 26 | 3 | 0.4966 | 0.497 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeS2 | ICSD | 42415 | Pmnn (58) | ✔ | 6 | 40 | 3 | 0.8069 | 1.148 | 0.000 | (0;000) | ✗ | 06/10/16 |
BePd2 | ICSD | 107609 | I4/mmm (139) | ✔ | 3 | 40 | 3 | 0.0 | 0.020 | 0.675 | (0;000) | ✗ | 05/01/17 |
MgF2 | COD | 1526236 | Pa3 (205) | ✔ | 12 | 96 | 3 | 7.909 | 7.909 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaHF2 | COD | 1010284 | R-3m (166) | ✔ | 4 | 24 | 1 | 6.6482 | 6.928 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeSb2 | ICSD | 151397 | Pmnn (58) | ✔ | 6 | 36 | 3 | 0.1637 | 0.361 | 0.000 | (0;000) | ✗ | 06/10/16 |
KHF2 | COD | 1010380 | I4/mcm (140) | ✔ | 8 | 48 | 2 | 6.0591 | 6.586 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgF2 | COD | 1526229 | P4_2/mnm (136) | ✔ | 6 | 48 | 3 | 7.2358 | 7.236 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeSe | ICSD | 182545 | Cmme (67) | ✔ | 4 | 28 | 2 | 0.0 | 0.020 | 0.084 | (0;000) | ✗ | 06/10/16 |
RbHF2 | ICSD | 45859 | I4/mcm (140) | ✔ | 8 | 48 | 1 | 6.8504 | 6.883 | 0.000 | (0;000) | ✗ | 27/01/17 |
PdF2 | COD | 2310524 | P4_2/mnm (136) | ✔ | 6 | 64 | 3 | 0.0 | 0.058 | 0.500 | (0;000) | ✗ | 27/01/17 |
V2Te2O7F2 | COD | 2016941 | P-1 (2) | ✔ | 13 | 94 | 2 | 0.0608 | 0.151 | 0.000 | (0;000) | ✗ | 27/01/17 |
MnF2 | COD | 9009076 | P4_2/mnm (136) | ✔ | 6 | 58 | 3 | 0.0 | 0.000 | 0.647 | (0;000) | ✗ | 27/01/17 |
FeSe2 | ICSD | 25680 | Pmnn (58) | ✔ | 6 | 40 | 3 | 0.2853 | 0.828 | 0.000 | (0;000) | ✗ | 06/10/16 |
NO | ICSD | 27871 | P2_1/c (14) | ✔ | 8 | 44 | 1 | 0.0 | 0.002 | 0.048 | (0;010) | ✔ | 27/01/17 |
P2O7F2 | COD | 2300034 | P-1 (2) | ✔ | 11 | 66 | 1 | 0.0 | 0.005 | 0.667 | (1;000) | ✗ | 27/01/17 |
GeS | ICSD | 637785 | Pmnb (62) | ✔ | 8 | 40 | 2 | 0.8942 | 1.214 | 0.000 | (0;000) | ✗ | 06/10/16 |
NiF2 | COD | 2100984 | P4_2/mnm (136) | ✔ | 6 | 48 | 3 | 0.0 | 0.016 | 0.431 | (0;000) | ✗ | 27/01/17 |
PdF2 | COD | 1008245 | Pa3 (205) | ✔ | 12 | 128 | 3 | 0.0 | 0.000 | 0.323 | (0;000) | ✗ | 27/01/17 |
Sn2OF2 | COD | 2106752 | C2/m (12) | ✔ | 10 | 96 | 1 | 2.5696 | 2.686 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeTe2 | ICSD | 86518 | Pmnn (58) | ✔ | 6 | 40 | 3 | 0.0 | 0.691 | 0.013 | (0;000) | ✗ | 06/10/16 |
NO2 | ICSD | 164631 | P2_1/m (11) | ✔ | 12 | 68 | 1 | 1.4082 | 1.460 | 0.000 | (0;000) | ✗ | 06/10/16 |
PbF2 | COD | 9009027 | Fm-3m (225) | ✔ | 3 | 28 | 3 | 4.0292 | 4.173 | 0.000 | (0;000) | ✗ | 27/01/17 |
Zr3Fe | ICSD | 106700 | Cmcm (63) | ✔ | 8 | 88 | 3 | 0.0 | 0.009 | 0.702 | (1;000) | ✗ | 06/10/16 |
PbF2 | COD | 2310346 | Pnma (62) | ✔ | 12 | 112 | 3 | 3.9763 | 4.204 | 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 |
NaMgF3 | COD | 9010120 | Cmcm (63) | ✔ | 10 | 80 | 3 | 9.6622 | 9.662 | 0.000 | (0;000) | ✗ | 27/01/17 |
KHgF3 | COD | 1527535 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.307 | 3.551 | 0.000 | (0;000) | ✗ | 27/01/17 |
KFeF3 | ICSD | 37262 | Pm-3m (221) | ✔ | 5 | 38 | 3 | 0.0 | 0.145 | 0.604 | (0;000) | ✗ | 27/01/17 |
SrF2 | COD | 9016413 | Fm-3m (225) | ✔ | 3 | 24 | 1 | 7.1886 | 7.257 | 0.000 | (0;000) | ✗ | 27/01/17 |
Fe2N | ICSD | 150889 | Pcnb (60) | ✔ | 12 | 84 | 3 | 0.0 | 0.001 | 0.653 | (0;101) | ✗ | 06/10/16 |
NO2 | ICSD | 28331 | P2_1/c (14) | ✔ | 12 | 68 | 1 | 2.5717 | 2.624 | 0.000 | (0;000) | ✗ | 27/01/17 |
ZnF2 | COD | 9007539 | P4_2/mnm (136) | ✔ | 6 | 52 | 3 | 3.5066 | 3.507 | 0.000 | (0;000) | ✗ | 27/01/17 |
LaGa | ICSD | 423623 | Cmcm (63) | ✔ | 4 | 32 | 3 | 0.0 | 0.008 | 0.299 | (1;000) | ✗ | 06/10/16 |
VF2 | ICSD | 38069 | P4_2/mnm (136) | ✔ | 6 | 54 | 3 | 0.0 | 0.001 | 0.793 | (0;000) | ✗ | 27/01/17 |
GaF3 | COD | 8100893 | R-3c (167) | ✔ | 8 | 68 | 3 | 5.2468 | 5.247 | 0.000 | (0;000) | ✗ | 27/01/17 |
NaFeF3 | COD | 4341415 | Cmcm (63) | ✔ | 10 | 76 | 2 | 0.5613 | 0.591 | 0.000 | (0;000) | ✗ | 27/01/17 |
Li2Ga | ICSD | 100051 | Cmcm (63) | ✔ | 6 | 38 | 1 | 0.0 | 0.000 | 0.778 | (1;110) | ✗ | 06/10/16 |
ZrCl | ICSD | 868 | C2/m (12) | ✔ | 4 | 38 | 2 | 0.0 | 0.064 | 0.228 | (0;111) | ✔ | 04/10/16 |
RbFeF3 | ICSD | 49586 | Pm-3m (221) | ✔ | 5 | 38 | 3 | 0.0 | 0.128 | 0.609 | (0;000) | ✗ | 27/01/17 |
ScGa | ICSD | 103954 | Cmcm (63) | ✔ | 4 | 48 | 3 | 0.0 | 0.003 | 0.442 | (1;000) | ✗ | 06/10/16 |
FeF3 | COD | 2100650 | R-3c (167) | ✔ | 8 | 58 | 3 | 0.0 | 0.001 | 0.309 | (0;000) | ✗ | 27/01/17 |
NaMgF3 | COD | 9003812 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 6.1969 | 6.641 | 0.000 | (0;000) | ✗ | 27/01/17 |
KMgF3 | COD | 9006363 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 7.3144 | 7.623 | 0.000 | (0;000) | ✗ | 27/01/17 |
RbHgF3 | COD | 1527534 | Pm-3m (221) | ✔ | 5 | 42 | 3 | 0.4004 | 3.302 | 0.000 | (0;000) | ✗ | 27/01/17 |
SiH | ICSD | 41478 | P-3m1 (164) | ✔ | 4 | 10 | 2 | 2.0532 | 2.092 | 0.000 | (0;000) | ✗ | 27/01/17 |
YGa | ICSD | 104030 | Cmcm (63) | ✔ | 4 | 48 | 3 | 0.0 | 0.001 | 0.461 | (1;000) | ✗ | 06/10/16 |
IrF3 | COD | 2310601 | R-3c (167) | ✔ | 8 | 76 | 3 | 1.079 | 1.198 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ga2Os | ICSD | 103785 | Fddd (70) | ✔ | 6 | 84 | 3 | 0.5627 | 0.794 | 0.000 | (0;000) | ✗ | 06/10/16 |
InF3 | COD | 1528562 | R-3c (167) | ✔ | 8 | 68 | 3 | 0.0 | 0.001 | 0.075 | (0;000) | ✗ | 27/01/17 |
Mg3NF3 | COD | 1528307 | Pm-3m (221) | ✔ | 7 | 56 | 3 | 3.7906 | 3.791 | 0.000 | (0;000) | ✗ | 27/01/17 |
KMnF3 | COD | 4030704 | I4/mcm (140) | ✔ | 10 | 90 | 3 | 0.0 | 0.000 | 0.393 | (0;111) | ✗ | 27/01/17 |
Ga2Ru | ICSD | 635227 | Fddd (70) | ✔ | 6 | 84 | 3 | 0.2122 | 0.894 | 0.000 | (0;000) | ✗ | 06/10/16 |
ReN2 | ICSD | 187441 | C2/m (12) | ✔ | 6 | 50 | 3 | 0.0 | 0.405 | 0.171 | (0;000) | ✔ | 06/10/16 |
KPdF3 | ICSD | 73167 | Pm-3m (221) | ✔ | 5 | 48 | 3 | 0.0 | 0.000 | 0.595 | (0;000) | ✗ | 27/01/17 |
ScGa2 | ICSD | 103956 | Cmmm (65) | ✔ | 6 | 74 | 3 | 0.0 | 0.017 | 0.510 | (1;001) | ✗ | 06/10/16 |
KNiF3 | COD | 5910032 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 0.0 | 0.000 | 0.596 | (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 |
RhF3 | COD | 2310599 | R-3c (167) | ✔ | 8 | 76 | 3 | 0.8988 | 1.057 | 0.000 | (0;000) | ✗ | 27/01/17 |
Nb2O2F3 | COD | 4123273 | C2/c (15) | ✔ | 14 | 118 | 3 | 0.0 | 0.000 | 0.850 | (1;100) | ✗ | 27/01/17 |
RbMgF3 | ICSD | 49585 | Pm-3m (221) | ✔ | 5 | 40 | 3 | 7.6344 | 7.759 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ga2Te5 | ICSD | 1085 | I4/m (87) | ✔ | 7 | 56 | 3 | 0.8135 | 0.828 | 0.000 | (0;000) | ✗ | 06/10/16 |
CrAs2 | ICSD | 43898 | C2/m (12) | ✔ | 6 | 48 | 3 | 0.0 | 0.022 | 0.319 | (0;000) | ✔ | 05/01/17 |
NaNiF3 | COD | 2300484 | Cmcm (63) | ✔ | 10 | 80 | 2 | 0.0 | 0.002 | 0.706 | (0;000) | ✗ | 27/01/17 |
ZrGa2 | ICSD | 104041 | Cmmm (65) | ✔ | 6 | 76 | 3 | 0.0 | 0.016 | 0.470 | (1;110) | ✗ | 06/10/16 |
MoF3 | ICSD | 26629 | R-3c (167) | ✔ | 8 | 70 | 3 | 0.0 | 0.001 | 0.311 | (0;000) | ✗ | 27/01/17 |
RbPdF3 | ICSD | 73166 | Pm-3m (221) | ✔ | 5 | 48 | 3 | 0.0 | 0.000 | 0.589 | (0;000) | ✗ | 27/01/17 |
POF3 | ICSD | 250498 | P-3m1 (164) | ✔ | 10 | 64 | 1 | 6.2121 | 6.319 | 0.000 | (0;000) | ✗ | 27/01/17 |
Ti2Ga3 | ICSD | 103995 | P4/m (83) | ✔ | 10 | 126 | 3 | 0.0 | 0.000 | 0.704 | (1;111) | ✗ | 06/10/16 |
NbF3 | ICSD | 60246 | Pm-3m (221) | ✔ | 4 | 34 | 3 | 0.0 | 0.000 | 0.784 | (0;000) | ✗ | 27/01/17 |
PdF3 | COD | 2310600 | R-3c (167) | ✔ | 8 | 78 | 3 | 0.0 | 0.000 | 0.662 | (0;000) | ✗ | 27/01/17 |
Mg3Ge | ICSD | 70070 | P-1 (2) | ✔ | 8 | 68 | 1 | 0.0 | 0.000 | 0.605 | (0;000) | ✗ | 06/10/16 |
RbPbF3 | ICSD | 49591 | Pm-3m (221) | ✔ | 5 | 44 | 3 | 1.7182 | 1.718 | 0.000 | (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 |
TlF3 | COD | 1528563 | Pnma (62) | ✔ | 16 | 136 | 3 | 1.4643 | 1.525 | 0.000 | (0;000) | ✗ | 27/01/17 |
RuF3 | COD | 2310598 | R-3c (167) | ✔ | 8 | 74 | 3 | 0.0 | 0.000 | 0.240 | (0;000) | ✗ | 27/01/17 |
GeIr | ICSD | 52126 | Pmnb (62) | ✔ | 8 | 52 | 3 | 0.0 | 0.001 | 0.568 | (0;011) | ✗ | 06/10/16 |
NbSe2 | ICSD | 16304 | P6_3/mmc (194) | ✔ | 6 | 50 | 2 | 0.0 | 0.000 | 0.896 | (0;100) | ✔ | 06/10/16 |
SnF3 | ICSD | 33786 | Fm-3m (225) | ✔ | 8 | 70 | 3 | 3.359 | 4.041 | 0.000 | (0;000) | ✗ | 27/01/17 |
LaGe | ICSD | 413736 | Ccmm (63) | ✔ | 8 | 28 | 3 | 0.0 | 0.028 | 0.459 | (0;000) | ✗ | 06/10/16 |
ScF3 | ICSD | 261089 | Pm-3m (221) | ✔ | 4 | 32 | 3 | 6.3805 | 6.897 | 0.000 | (0;000) | ✗ | 27/01/17 |
KFeF4 | ICSD | 23588 | Cmcm (63) | ✔ | 12 | 90 | 1 | 0.0 | 0.001 | 0.935 | (0;000) | ✗ | 27/01/17 |
VF3 | COD | 1000468 | R-3c (167) | ✔ | 8 | 68 | 3 | 0.0 | 0.014 | 0.628 | (0;000) | ✗ | 27/01/17 |