▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▴ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Al3GaN4 | ICSD | 187056 | P-43m (215) | ✗ | 8 | 42 | 3 | 3.347 | 3.347 | 0.000 | (0;000) | ✗ | 06/10/16 |
SnPd | COD | 9008938 | Pnma (62) | ✔ | 8 | 128 | 3 | 0.0 | 0.010 | 0.379 | (0;000) | ✗ | 27/01/17 |
GaAgS2 | ICSD | 156126 | I-42d (122) | ✗ | 8 | 72 | 3 | 1.1606 | 1.161 | 0.000 | (0;000) | ✗ | 07/10/16 |
GaAgSe2 | ICSD | 156127 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.4613 | 0.465 | 0.000 | (0;000) | ✔ | 07/10/16 |
TlF | ICSD | 16112 | Pma2 (28) | ✗ | 8 | 80 | 2 | 1.4283 | 1.431 | 0.000 | (0;000) | ✗ | 06/10/16 |
GaAgTe2 | ICSD | 156128 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.1402 | 0.140 | 0.000 | (0;000) | ✔ | 07/10/16 |
InAgS2 | ICSD | 156129 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.4129 | 0.413 | 0.000 | (0;000) | ✔ | 07/10/16 |
InAgSe2 | ICSD | 28751 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.034 | 0.023 | (1;000) | ✔ | 07/10/16 |
InAgTe2 | ICSD | 104476 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.1067 | 0.107 | 0.000 | (0;000) | ✔ | 07/10/16 |
V3Pd | COD | 1523039 | Pm-3n (223) | ✔ | 8 | 114 | 3 | 0.0 | 0.000 | 0.629 | (0;000) | ✗ | 27/01/17 |
YAgTe2 | ICSD | 154792 | P-42_1m (113) | ✗ | 8 | 68 | 3 | 0.6696 | 0.692 | 0.000 | (0;000) | ✗ | 07/10/16 |
VAg3O4 | ICSD | 417470 | I-42m (121) | ✗ | 8 | 70 | 3 | 0.5894 | 0.862 | 0.000 | (0;000) | ✗ | 07/10/16 |
AlCuS2 | ICSD | 165738 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.9307 | 1.931 | 0.000 | (0;000) | ✗ | 07/10/16 |
AlCuSe2 | ICSD | 165740 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.3029 | 1.303 | 0.000 | (0;000) | ✗ | 07/10/16 |
AlCuTe2 | ICSD | 165742 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.002 | 1.002 | 0.000 | (0;000) | ✗ | 07/10/16 |
LiAlTe2 | ICSD | 162672 | I-42d (122) | ✗ | 8 | 36 | 3 | 1.7823 | 1.809 | 0.000 | (0;000) | ✗ | 07/10/16 |
FeSe | ICSD | 166445 | Pnma (62) | ✔ | 8 | 56 | 3 | 0.0 | 0.025 | 0.326 | (1;000) | ✗ | 27/01/17 |
Cu3AsSe4 | ICSD | 610361 | I-42m (121) | ✗ | 8 | 62 | 3 | 0.0 | 0.006 | 0.229 | (1;000) | ✔ | 07/10/16 |
CaAs3 | ICSD | 193 | P-1 (2) | ✔ | 8 | 50 | 1 | 0.0 | 0.060 | 0.008 | (1;100) | ✗ | 06/10/16 |
BeSiAs2 | ICSD | 237067 | I-42d (122) | ✗ | 8 | 36 | 3 | 0.8099 | 0.810 | 0.000 | (0;000) | ✗ | 07/10/16 |
CdSiAs2 | ICSD | 22187 | I-42d (122) | ✗ | 8 | 52 | 3 | 0.7902 | 0.792 | 0.000 | (0;000) | ✗ | 07/10/16 |
SbF3 | ICSD | 16142 | Cc2m (40) | ✗ | 8 | 52 | 3 | 4.4474 | 4.748 | 0.000 | (0;000) | ✗ | 06/10/16 |
SrAs3 | ICSD | 611440 | P-1 (2) | ✔ | 8 | 50 | 3 | 0.0 | 0.022 | 0.192 | (1;101) | ✗ | 05/01/17 |
CdSnAs2 | ICSD | 16737 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.046 | 0.008 | (1;000) | ✔ | 07/10/16 |
MgGeAs2 | ICSD | 182368 | I-42d (122) | ✗ | 8 | 48 | 3 | 1.0302 | 1.030 | 0.000 | (0;000) | ✗ | 07/10/16 |
ZnGeAs2 | ICSD | 16735 | I-42d (122) | ✗ | 8 | 52 | 3 | 0.3013 | 0.301 | 0.000 | (0;000) | ✔ | 07/10/16 |
MgSiAs2 | ICSD | 182367 | I-42d (122) | ✗ | 8 | 48 | 3 | 1.2401 | 1.240 | 0.000 | (0;000) | ✗ | 07/10/16 |
ZnSiAs2 | ICSD | 191070 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.1183 | 1.118 | 0.000 | (0;000) | ✗ | 07/10/16 |
ZnSnAs2 | ICSD | 18203 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.013 | 0.004 | (1;000) | ✔ | 07/10/16 |
Zr2SbP | ICSD | 77797 | P6_3/mmc (194) | ✔ | 8 | 36 | 3 | 0.0 | 0.016 | 0.417 | (0;000) | ✗ | 27/01/17 |
CuBS2 | ICSD | 156413 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.6658 | 1.666 | 0.000 | (0;000) | ✗ | 07/10/16 |
CuBSe2 | ICSD | 613591 | I-42d (122) | ✗ | 8 | 52 | 3 | 0.4946 | 0.501 | 0.000 | (0;000) | ✔ | 07/10/16 |
NaPF6 | COD | 1521416 | Fm-3m (225) | ✔ | 8 | 56 | 1 | 7.8908 | 7.891 | 0.000 | (0;000) | ✗ | 27/01/17 |
ScSiPt2 | ICSD | 420355 | Cmcm (63) | ✔ | 8 | 70 | 3 | 0.0 | 0.000 | 0.931 | (0;110) | ✗ | 27/01/17 |
CrCo3 | ICSD | 622450 | P6_3/mmc (194) | ✔ | 8 | 130 | 3 | 0.0 | 0.000 | 0.813 | (1;000) | ✗ | 27/01/17 |
LiBO2 | ICSD | 34256 | I-42d (122) | ✗ | 8 | 36 | 3 | 7.3954 | 7.536 | 0.000 | (0;000) | ✗ | 07/10/16 |
AlAu | ICSD | 104649 | P2_1/m (11) | ✔ | 8 | 56 | 3 | 0.0 | 0.126 | 0.308 | (1;000) | ✔ | 06/10/16 |
YSnPt2 | ICSD | 649701 | P6_3/mmc (194) | ✔ | 8 | 90 | 3 | 0.0 | 0.000 | 0.906 | (0;000) | ✗ | 27/01/17 |
YCoSi2 | ICSD | 625129 | Cmcm (63) | ✔ | 8 | 72 | 3 | 0.0 | 0.008 | 0.738 | (0;110) | ✗ | 27/01/17 |
BaAu | ICSD | 419559 | Pmnb (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.005 | 0.453 | (1;011) | ✗ | 06/10/16 |
Zr3Co | ICSD | 625670 | P6_3/mmc (194) | ✔ | 8 | 58 | 3 | 0.0 | 0.000 | 0.801 | (1;000) | ✗ | 27/01/17 |
BeSiP2 | ICSD | 237066 | I-42d (122) | ✗ | 8 | 36 | 3 | 1.1465 | 1.147 | 0.000 | (0;000) | ✗ | 07/10/16 |
BeSiN2 | ICSD | 44112 | I-42d (122) | ✗ | 8 | 36 | 3 | 1.4111 | 1.932 | 0.000 | (0;000) | ✗ | 07/10/16 |
SbPt3 | ICSD | 649557 | I4/mmm (139) | ✔ | 8 | 70 | 3 | 0.0 | 0.007 | 0.303 | (0;111) | ✗ | 27/01/17 |
BeSiSb2 | ICSD | 237068 | I-42d (122) | ✗ | 8 | 36 | 3 | 0.0 | 0.476 | 0.018 | (0;000) | ✔ | 07/10/16 |
TaPt3 | COD | 1523694 | Pmmn (59) | ✔ | 8 | 86 | 3 | 0.0 | 0.000 | 0.818 | (0;000) | ✗ | 27/01/17 |
GaAu | ICSD | 58457 | Pmnb (62) | ✔ | 8 | 96 | 3 | 0.0 | 0.094 | 0.370 | (1;000) | ✗ | 06/10/16 |
BeCN2 | ICSD | 181041 | I-42d (122) | ✗ | 8 | 36 | 3 | 3.8848 | 3.885 | 0.000 | (0;000) | ✗ | 07/10/16 |
MgCN2 | ICSD | 44110 | I-42d (122) | ✗ | 8 | 48 | 3 | 3.6613 | 3.869 | 0.000 | (0;000) | ✗ | 07/10/16 |
CaGeN2 | ICSD | 23523 | I-42d (122) | ✗ | 8 | 48 | 3 | 3.0865 | 3.087 | 0.000 | (0;000) | ✗ | 07/10/16 |
CdGeP2 | ICSD | 100467 | I-42d (122) | ✗ | 8 | 52 | 3 | 0.9575 | 0.958 | 0.000 | (0;000) | ✗ | 07/10/16 |
CdSiP2 | ICSD | 22188 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.3977 | 1.398 | 0.000 | (0;000) | ✗ | 07/10/16 |
TiP | COD | 9008969 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 0.0 | 0.003 | 0.549 | (1;000) | ✗ | 27/01/17 |
CdSnP2 | ICSD | 22183 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.5533 | 0.553 | 0.000 | (0;000) | ✗ | 07/10/16 |
CdSnSb2 | ICSD | 44259 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.043 | 0.033 | (1;000) | ✔ | 07/10/16 |
ZnCdTe2 | ICSD | 181019 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.3456 | 0.346 | 0.000 | (0;000) | ✔ | 07/10/16 |
FeGe | ICSD | 103492 | P2_13 (198) | ✗ | 8 | 48 | 3 | 0.0653 | 0.087 | 0.000 | (0;000) | ✔ | 06/10/16 |
KCoO2 | ICSD | 4199 | I-42d (122) | ✗ | 8 | 60 | 3 | 0.0 | 0.000 | 0.160 | (0;000) | ✔ | 07/10/16 |
FeCuSe2 | ICSD | 656334 | P222 (16) | ✗ | 8 | 62 | 3 | 0.0 | 0.005 | 0.783 | (0;011) | ✔ | 07/10/16 |
AlCl3 | ICSD | 39566 | C2/m (12) | ✔ | 8 | 48 | 2 | 5.243 | 5.321 | 0.000 | (0;000) | ✗ | 05/01/17 |
FeCuSe2 | ICSD | 73376 | P2 (3) | ✗ | 8 | 62 | 3 | 0.0 | 0.005 | 0.783 | (0;011) | ✔ | 07/10/16 |
GaCuS2 | ICSD | 156786 | I-42d (122) | ✗ | 8 | 72 | 3 | 1.0348 | 1.035 | 0.000 | (0;000) | ✗ | 07/10/16 |
HfAu3 | ICSD | 611955 | Pmmn (59) | ✔ | 8 | 90 | 3 | 0.0 | 0.000 | 0.820 | (1;000) | ✗ | 05/01/17 |
GaCuSe2 | ICSD | 247513 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.2787 | 0.279 | 0.000 | (0;000) | ✔ | 07/10/16 |
GaCuTe2 | ICSD | 28738 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.2411 | 0.241 | 0.000 | (0;000) | ✔ | 07/10/16 |
Ge | COD | 9013109 | Cmce (64) | ✔ | 8 | 32 | 3 | 0.0 | 0.011 | 0.466 | (1;000) | ✗ | 27/01/17 |
InCuS2 | ICSD | 186714 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.2824 | 0.282 | 0.000 | (0;000) | ✔ | 07/10/16 |
InCuSe2 | ICSD | 154405 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.018 | 0.011 | (1;000) | ✔ | 07/10/16 |
YAu3 | ICSD | 612464 | Pmmn (59) | ✔ | 8 | 88 | 3 | 0.0 | 0.008 | 0.601 | (1;000) | ✗ | 05/01/17 |
InCuTe2 | ICSD | 169048 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.018 | 0.004 | (1;000) | ✔ | 07/10/16 |
FeGe | ICSD | 43055 | C2/m (12) | ✔ | 8 | 48 | 3 | 0.0 | 0.008 | 0.869 | (1;011) | ✔ | 06/10/16 |
CuPN2 | ICSD | 194793 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.872 | 2.098 | 0.000 | (0;000) | ✗ | 07/10/16 |
TlCuS2 | ICSD | 28742 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.014 | 0.072 | (1;000) | ✔ | 07/10/16 |
V3Pt | COD | 1523723 | Pm-3n (223) | ✔ | 8 | 98 | 3 | 0.0 | 0.000 | 0.512 | (0;000) | ✗ | 27/01/17 |
TlCuSe2 | ICSD | 28743 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.014 | 0.004 | (1;000) | ✔ | 07/10/16 |
ZrAu3 | ICSD | 612509 | Pmmn (59) | ✔ | 8 | 74 | 3 | 0.0 | 0.000 | 0.803 | (1;000) | ✗ | 05/01/17 |
NiPtF6 | ICSD | 37448 | R-3 (148) | ✔ | 8 | 62 | 3 | 0.0 | 0.002 | 0.461 | (0;000) | ✗ | 27/01/17 |
VCu3O4 | ICSD | 418372 | I-42m (121) | ✗ | 8 | 70 | 3 | 0.0 | 0.031 | 0.057 | (0;000) | ✔ | 07/10/16 |
Cu3SbS4 | ICSD | 2857 | I-42m (121) | ✗ | 8 | 62 | 3 | 0.0 | 0.038 | 0.105 | (1;000) | ✔ | 07/10/16 |
MoBr3 | ICSD | 413690 | C2mm (38) | ✗ | 8 | 70 | 1 | 0.0 | 0.001 | 0.433 | (0;011) | ✔ | 04/10/16 |
Cu3SbSe4 | ICSD | 400652 | I-42m (121) | ✗ | 8 | 62 | 3 | 0.0 | 0.005 | 0.232 | (1;000) | ✔ | 07/10/16 |
BBr3 | ICSD | 173374 | P2_1/m (11) | ✔ | 8 | 48 | 1 | 3.5823 | 3.889 | 0.000 | (0;000) | ✗ | 06/10/16 |
LiGaTe2 | ICSD | 162555 | I-42d (122) | ✗ | 8 | 56 | 3 | 1.4715 | 1.509 | 0.000 | (0;000) | ✗ | 07/10/16 |
BCl3 | ICSD | 24526 | P2_1/m (11) | ✔ | 8 | 48 | 1 | 3.2389 | 3.347 | 0.000 | (0;000) | ✗ | 06/10/16 |
MgGeP2 | ICSD | 182369 | I-42d (122) | ✗ | 8 | 48 | 3 | 1.4973 | 1.529 | 0.000 | (0;000) | ✗ | 07/10/16 |
YNi | COD | 2106095 | Pnma (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.002 | 0.524 | (1;011) | ✗ | 27/01/17 |
ZnGeP2 | ICSD | 16734 | I-42d (122) | ✗ | 8 | 52 | 3 | 1.319 | 1.491 | 0.000 | (0;000) | ✗ | 07/10/16 |
V3Ni | ICSD | 647028 | Pm-3n (223) | ✔ | 8 | 98 | 3 | 0.0 | 0.000 | 0.557 | (1;000) | ✗ | 27/01/17 |
SiHgP2 | ICSD | 247969 | I-42d (122) | ✗ | 8 | 52 | 3 | 0.507 | 0.507 | 0.000 | (0;000) | ✗ | 07/10/16 |
V3Co | ICSD | 102716 | Pm-3n (223) | ✔ | 8 | 112 | 3 | 0.0 | 0.000 | 0.567 | (1;000) | ✗ | 27/01/17 |
Na3Li3N2 | ICSD | 92311 | P-4m2 (115) | ✗ | 8 | 46 | 3 | 2.7879 | 2.788 | 0.000 | (0;000) | ✗ | 07/10/16 |
LiInSe2 | ICSD | 56532 | I-42d (122) | ✗ | 8 | 56 | 3 | 1.7153 | 1.715 | 0.000 | (0;000) | ✗ | 07/10/16 |
RhCl3 | ICSD | 25764 | C2/m (12) | ✔ | 8 | 76 | 2 | 1.5711 | 1.663 | 0.000 | (0;000) | ✗ | 27/01/17 |
LiInTe2 | ICSD | 162674 | I-42d (122) | ✗ | 8 | 56 | 3 | 1.5919 | 1.592 | 0.000 | (0;000) | ✗ | 07/10/16 |
AlF3 | ICSD | 30274 | R32 (155) | ✗ | 8 | 48 | 3 | 7.2936 | 7.295 | 0.000 | (0;000) | ✗ | 06/10/16 |
V2GeC | ICSD | 42919 | P6_3/mmc (194) | ✔ | 8 | 68 | 3 | 0.0 | 0.012 | 0.505 | (1;000) | ✗ | 27/01/17 |
KSnSe2 | ICSD | 153907 | I4cm (108) | ✗ | 8 | 70 | 1 | 0.0 | 0.000 | 0.296 | (1;111) | ✔ | 07/10/16 |
GeP3 | COD | 1527464 | R-3m (166) | ✔ | 8 | 38 | 1 | 0.0 | 0.017 | 0.480 | (1;111) | ✗ | 27/01/17 |
K3MnO4 | ICSD | 108935 | I-42m (121) | ✗ | 8 | 66 | 3 | 1.2787 | 0.017 | 1.000 | (0;000) | ✗ | 07/10/16 |
NiPbF6 | COD | 1527520 | R-3 (148) | ✔ | 8 | 66 | 3 | 0.0 | 0.011 | 0.396 | (0;000) | ✗ | 27/01/17 |