▹ Formula | ▴ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ca5As3 | ICSD | 43877 | P6_3/mcm (193) | ✔ | 16 | 130 | 1 | 0.0 | 0.000 | 0.557 | (0;000) | ✗ | 30/01/17 |
CaZnSn | ICSD | 106358 | P6_3mc (186) | ✗ | 6 | 72 | 3 | 0.0 | 0.030 | 0.241 | (0;000) | ✔ | 06/10/16 |
BaTi(BO3)2 | ICSD | 97972 | R-3 (148) | ✔ | 10 | 64 | 2 | 2.6064 | 2.607 | 0.000 | (0;000) | ✗ | 05/01/17 |
TlF | ICSD | 90992 | Pmab (57) | ✔ | 8 | 80 | 2 | 2.8245 | 2.913 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsN | ICSD | 29106 | Pm-3m (221) | ✔ | 2 | 14 | 1 | 0.0 | 0.000 | 0.697 | (0;000) | ✗ | 27/01/17 |
Cs2As3 | ICSD | 409382 | Fmmm (69) | ✔ | 10 | 66 | 1 | 0.4415 | 0.442 | 0.000 | (0;000) | ✗ | 30/01/17 |
VIr | ICSD | 104589 | P4/mmm (123) | ✔ | 2 | 30 | 3 | 0.0 | 0.007 | 0.507 | (0;001) | ✗ | 27/01/17 |
Ca2CdP2 | ICSD | 422580 | Ccm2_1 (36) | ✗ | 10 | 84 | 1 | 1.2799 | 1.290 | 0.000 | (0;000) | ✗ | 06/10/16 |
ZrCl | ICSD | 868 | C2/m (12) | ✔ | 4 | 38 | 2 | 0.0 | 0.064 | 0.228 | (0;111) | ✔ | 04/10/16 |
SrNi5As3 | ICSD | 33915 | Cmcm (63) | ✔ | 18 | 150 | 3 | 0.0 | 0.000 | 0.962 | (0;110) | ✗ | 30/01/17 |
Rb2As3 | ICSD | 409381 | Fmmm (69) | ✔ | 10 | 66 | 1 | 0.3972 | 0.403 | 0.000 | (0;000) | ✗ | 30/01/17 |
SiPt3 | ICSD | 246170 | C2/m (12) | ✔ | 8 | 68 | 3 | 0.0 | 0.131 | 0.074 | (0;000) | ✔ | 27/01/17 |
NiAs | ICSD | 655881 | Ccm2_1 (36) | ✗ | 4 | 30 | 3 | 0.0 | 0.000 | 0.753 | (0;110) | ✔ | 06/10/16 |
Sr5As3 | ICSD | 44067 | P6_3/mcm (193) | ✔ | 16 | 130 | 1 | 0.0 | 0.000 | 0.492 | (0;000) | ✗ | 30/01/17 |
CO2 | ICSD | 188894 | P4_12_12 (92) | ✗ | 12 | 64 | 1 | 2.6623 | 3.604 | 0.000 | (0;000) | ✗ | 06/10/16 |
V5As3 | ICSD | 611571 | I4/mcm (140) | ✔ | 16 | 160 | 3 | 0.0 | 0.001 | 0.532 | (0;111) | ✗ | 30/01/17 |
Ba3(CdAs2)2 | ICSD | 424761 | C2/m (12) | ✔ | 9 | 74 | 3 | 0.0 | 0.019 | 0.025 | (0;110) | ✗ | 30/01/17 |
Ba3(SiAs2)2 | ICSD | 41183 | C2/c (15) | ✔ | 18 | 116 | 1 | 0.7517 | 0.757 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ba3(ZnAs2)2 | ICSD | 424760 | C2/m (12) | ✔ | 9 | 74 | 3 | 0.0 | 0.022 | 0.024 | (0;110) | ✗ | 30/01/17 |
Ba(Cu2As)4 | ICSD | 66017 | I4/m (87) | ✔ | 13 | 118 | 3 | 0.0 | 0.002 | 0.977 | (1;111) | ✗ | 30/01/17 |
KAs4ClO6 | ICSD | 65205 | P6/mmm (191) | ✔ | 12 | 72 | 1 | 3.35 | 3.425 | 0.000 | (0;000) | ✗ | 30/01/17 |
Cu3As4 | ICSD | 41169 | Immm (71) | ✔ | 14 | 106 | 2 | 0.0 | 0.006 | 0.964 | (1;111) | ✗ | 30/01/17 |
Sr3(GaAs2)2 | ICSD | 423785 | C2/c (15) | ✔ | 18 | 152 | 2 | 0.6984 | 0.809 | 0.000 | (0;000) | ✗ | 30/01/17 |
GeTe7As4 | ICSD | 41107 | P-3m1 (164) | ✔ | 12 | 66 | 2 | 0.0 | 0.012 | 0.072 | (1;001) | ✗ | 30/01/17 |
TlN | ICSD | 184575 | F-43m (216) | ✗ | 2 | 18 | 3 | 0.0 | 0.012 | 0.003 | (1;000) | ✔ | 06/10/16 |
MgF2 | ICSD | 191439 | Pmnn (58) | ✔ | 6 | 48 | 3 | 7.9375 | 7.938 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ca3(GaNi)4 | ICSD | 58899 | I-43m (217) | ✗ | 11 | 122 | 3 | 0.0 | 0.000 | 0.663 | ? | ✗ | 06/10/16 |
K2AsAuS4 | ICSD | 85681 | P2_1/m (11) | ✔ | 16 | 116 | 3 | 0.8772 | 0.877 | 0.000 | (0;000) | ✗ | 30/01/17 |
B2AsCl2 | ICSD | 80153 | P-1 (2) | ✔ | 20 | 100 | 2 | 3.294 | 3.350 | 0.000 | (0;000) | ✗ | 30/01/17 |
Mg2B2AsIr5 | ICSD | 609843 | P4/mbm (127) | ✔ | 20 | 232 | 3 | 0.0 | 0.016 | 0.449 | (1;001) | ✗ | 30/01/17 |
Ba2ScFeAsO3 | ICSD | 420654 | P4/nmm (129) | ✔ | 16 | 124 | 1 | 0.0 | 0.012 | 0.409 | (0;000) | ✗ | 30/01/17 |
Ca6Ge2O | ICSD | 181078 | Fm-3m (225) | ✔ | 9 | 74 | 1 | 0.2852 | 0.294 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ba3BAsO3 | ICSD | 402682 | P6_3/mmc (194) | ✔ | 16 | 112 | 1 | 1.3926 | 1.694 | 0.000 | (0;000) | ✗ | 30/01/17 |
Mg2BiAsO6 | ICSD | 73895 | Cmcm (63) | ✔ | 20 | 152 | 3 | 3.1285 | 3.129 | 0.000 | (0;000) | ✗ | 30/01/17 |
MnBiAsO5 | ICSD | 59721 | P-1 (2) | ✔ | 16 | 130 | 3 | 0.0 | 0.013 | 0.174 | (1;101) | ✗ | 30/01/17 |
MgF2 | ICSD | 51243 | P-1 (2) | ✔ | 6 | 48 | 1 | 0.7823 | 1.004 | 0.000 | (0;000) | ✗ | 06/10/16 |
BiAsPbO5 | ICSD | 419124 | C2/m (12) | ✔ | 16 | 128 | 3 | 1.7009 | 1.885 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ca3AsBr3 | ICSD | 426 | Pm-3m (221) | ✔ | 7 | 56 | 1 | 1.5395 | 1.540 | 0.000 | (0;000) | ✗ | 30/01/17 |
As(BrF2)3 | ICSD | 33811 | P-1 (2) | ✔ | 20 | 136 | 1 | 1.7771 | 1.828 | 0.000 | (0;000) | ✗ | 30/01/17 |
RbCaAs | ICSD | 409177 | P4/nmm (129) | ✔ | 6 | 48 | 1 | 1.3437 | 1.450 | 0.000 | (0;000) | ✗ | 30/01/17 |
CdAs | ICSD | 432 | Pbca (61) | ✔ | 16 | 136 | 3 | 0.1609 | 0.448 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ca3(SiIr)4 | ICSD | 95788 | I-43m (217) | ✗ | 11 | 82 | 3 | 0.0 | 0.000 | 0.576 | ? | ✗ | 06/10/16 |
Co(BO2)2 | ICSD | 422063 | C2/c (15) | ✔ | 14 | 94 | 3 | 0.0 | 0.000 | 0.808 | (1;011) | ✗ | 05/01/17 |
AsCl3O | ICSD | 411196 | P2_1/c (14) | ✔ | 20 | 128 | 1 | 2.8211 | 2.897 | 0.000 | (0;000) | ✗ | 30/01/17 |
AsCl5 | ICSD | 412103 | Pmmn (59) | ✔ | 12 | 80 | 1 | 1.5429 | 1.543 | 0.000 | (0;000) | ✗ | 30/01/17 |
Co2AsClO4 | ICSD | 902 | P2_1/m (11) | ✔ | 16 | 140 | 3 | 0.0 | 0.014 | 0.656 | (1;011) | ✗ | 30/01/17 |
Cu2AsClO4 | ICSD | 901 | P2_1/m (11) | ✔ | 16 | 116 | 3 | 0.0 | 0.016 | 0.602 | (0;000) | ✗ | 30/01/17 |
AsClF8 | ICSD | 23775 | C2/c (15) | ✔ | 20 | 136 | 1 | 3.8415 | 3.876 | 0.000 | (0;000) | ✗ | 30/01/17 |
RbNbAsClO5 | ICSD | 85758 | P4/nmm (129) | ✔ | 18 | 128 | 2 | 3.3107 | 3.329 | 0.000 | (0;000) | ✗ | 30/01/17 |
Sr2CrFeAsO3 | ICSD | 180529 | P4/nmm (129) | ✔ | 16 | 130 | 1 | 0.0 | 0.000 | 0.894 | (1;001) | ✗ | 30/01/17 |
Cs2NaAsO4 | ICSD | 36533 | P2_1/m (11) | ✔ | 16 | 112 | 1 | 4.104 | 4.122 | 0.000 | (0;000) | ✗ | 30/01/17 |
CuAsF7 | ICSD | 413972 | Imma (74) | ✔ | 18 | 130 | 3 | 0.0 | 0.003 | 0.094 | (1;110) | ✗ | 30/01/17 |
K2CuAs | ICSD | 43936 | Cmcm (63) | ✔ | 8 | 68 | 1 | 1.1211 | 1.224 | 0.000 | (0;000) | ✗ | 30/01/17 |
CuAsPbO4 | ICSD | 61677 | P-1 (2) | ✔ | 14 | 108 | 3 | 1.9156 | 1.998 | 0.000 | (0;000) | ✗ | 30/01/17 |
TaCoB2 | ICSD | 613324 | Pnma (62) | ✔ | 16 | 144 | 3 | 0.0 | 0.028 | 0.238 | (0;000) | ✗ | 05/01/17 |
As(IF3)2 | ICSD | 37001 | C2/m (12) | ✔ | 18 | 122 | 1 | 0.5286 | 0.594 | 0.000 | (0;000) | ✗ | 30/01/17 |
As(IF3)2 | ICSD | 63300 | C2/m (12) | ✔ | 18 | 122 | 2 | 0.0 | 0.064 | 0.123 | (0;001) | ✗ | 30/01/17 |
Cr3CdTe4 | ICSD | 181055 | P-43m (215) | ✗ | 8 | 78 | 3 | 0.0 | 0.000 | 0.425 | ? | ✗ | 06/10/16 |
AsPbF7 | ICSD | 411788 | P-1 (2) | ✔ | 18 | 136 | 2 | 4.6514 | 4.679 | 0.000 | (0;000) | ✗ | 30/01/17 |
Nb2CrB2 | ICSD | 613529 | P4/mbm (127) | ✔ | 10 | 92 | 3 | 0.0 | 0.024 | 0.215 | (1;000) | ✗ | 05/01/17 |
Sr2ScFeAsO3 | ICSD | 180528 | P4/nmm (129) | ✔ | 16 | 124 | 1 | 0.0 | 0.016 | 0.426 | (0;000) | ✗ | 30/01/17 |
FeTeAs | ICSD | 610529 | P2_1/c (14) | ✔ | 12 | 76 | 3 | 0.5659 | 0.631 | 0.000 | (0;000) | ✗ | 30/01/17 |
GeAs | ICSD | 86361 | C2/m (12) | ✔ | 12 | 54 | 3 | 0.3292 | 0.355 | 0.000 | (0;000) | ✗ | 30/01/17 |
Ta2CrB2 | ICSD | 613557 | P4/mbm (127) | ✔ | 10 | 92 | 3 | 0.0 | 0.001 | 0.247 | (0;000) | ✗ | 05/01/17 |
TlN | ICSD | 186556 | P6_3mc (186) | ✗ | 4 | 36 | 3 | 0.0197 | 0.024 | 0.000 | (1;000) | ✔ | 06/10/16 |
NiF2 | ICSD | 34307 | Pmnn (58) | ✔ | 6 | 48 | 3 | 0.0 | 0.017 | 0.293 | (0;000) | ✗ | 06/10/16 |
KNiAsO4 | ICSD | 63544 | R-3 (148) | ✔ | 14 | 96 | 1 | 0.0 | 0.007 | 0.061 | (0;000) | ✗ | 30/01/17 |
KAsO2 | ICSD | 413149 | Pbcm (57) | ✔ | 16 | 104 | 1 | 3.8754 | 3.965 | 0.000 | (0;000) | ✗ | 30/01/17 |
Zn3CdS4 | ICSD | 168376 | P-43m (215) | ✗ | 8 | 72 | 3 | 1.7167 | 1.717 | 0.000 | (0;000) | ✗ | 06/10/16 |
Fe2B2O5 | ICSD | 420463 | P-1 (2) | ✔ | 18 | 104 | 3 | 0.0736 | 0.093 | 0.000 | (0;000) | ✗ | 05/01/17 |
Zn3CdS4 | ICSD | 169185 | P-43m (215) | ✗ | 8 | 72 | 3 | 1.8744 | 1.874 | 0.000 | (0;000) | ✗ | 06/10/16 |
Fe5SiB2 | ICSD | 614183 | I4/mcm (140) | ✔ | 16 | 100 | 3 | 0.0 | 0.002 | 0.441 | (1;111) | ✗ | 05/01/17 |
NaAs | ICSD | 182159 | P2_1/c (14) | ✔ | 16 | 112 | 1 | 0.8758 | 0.946 | 0.000 | (0;000) | ✗ | 30/01/17 |
LaF3 | ICSD | 167553 | Pmmn (59) | ✔ | 8 | 48 | 3 | 6.5026 | 6.822 | 0.000 | (0;000) | ✗ | 06/10/16 |
Nb3Te3As | ICSD | 79934 | P6_3/m (176) | ✔ | 14 | 124 | 3 | 0.0 | 0.009 | 0.369 | (0;000) | ✗ | 30/01/17 |
RbAsO2 | ICSD | 413150 | Pbcm (57) | ✔ | 16 | 104 | 1 | 4.0164 | 4.019 | 0.000 | (0;000) | ✗ | 30/01/17 |
Zn3CdSe4 | ICSD | 188388 | P-43m (215) | ✗ | 8 | 72 | 3 | 0.6307 | 0.631 | 0.000 | (0;000) | ✗ | 06/10/16 |
YAsPt | ICSD | 44047 | P6_3/mmc (194) | ✔ | 12 | 104 | 3 | 0.0 | 0.006 | 0.460 | (0;000) | ✗ | 30/01/17 |
Rb3As | ICSD | 25551 | P6_3/mmc (194) | ✔ | 8 | 64 | 1 | 0.0 | 0.029 | 0.050 | (0;000) | ✗ | 30/01/17 |
TeAsRu | ICSD | 611299 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.9106 | 1.175 | 0.000 | (0;000) | ✗ | 30/01/17 |
Nb2FeB2 | ICSD | 614047 | P4/mbm (127) | ✔ | 10 | 80 | 3 | 0.0 | 0.001 | 0.436 | (1;000) | ✗ | 05/01/17 |
Zr5Sb3As | ICSD | 611352 | P6_3/mcm (193) | ✔ | 18 | 80 | 3 | 0.0 | 0.005 | 0.819 | (0;000) | ✗ | 30/01/17 |
YAsSe | ICSD | 611398 | Pnma (62) | ✔ | 12 | 88 | 3 | 0.0 | 0.067 | 0.005 | (0;000) | ✗ | 30/01/17 |
Zr5Sn3As | ICSD | 656301 | P6_3/mcm (193) | ✔ | 18 | 134 | 3 | 0.0 | 0.000 | 0.638 | (0;000) | ✗ | 30/01/17 |
Fe(BO2)2 | ICSD | 420403 | C2/c (15) | ✔ | 14 | 76 | 3 | 0.3192 | 0.368 | 0.000 | (0;000) | ✗ | 05/01/17 |
YAsS | ICSD | 611344 | P2_1/c (14) | ✔ | 12 | 88 | 3 | 0.157 | 0.176 | 0.000 | (0;000) | ✗ | 30/01/17 |
Cd(GaTe2)2 | ICSD | 603660 | I-4 (82) | ✗ | 7 | 62 | 3 | 0.9356 | 0.936 | 0.000 | (0;000) | ✗ | 06/10/16 |
Ta2FeB2 | ICSD | 614207 | P4/mbm (127) | ✔ | 10 | 80 | 3 | 0.0 | 0.001 | 0.401 | (0;001) | ✗ | 05/01/17 |
Ba3Au2 | ICSD | 611635 | R-3 (148) | ✔ | 15 | 156 | 2 | 0.0 | 0.001 | 0.562 | (0;111) | ✗ | 30/01/17 |
OsC | ICSD | 169403 | P-6m2 (187) | ✗ | 2 | 20 | 3 | 0.0 | 0.000 | 0.436 | (0;100) | ✔ | 06/10/16 |
VN | ICSD | 191061 | P-6m2 (187) | ✗ | 2 | 18 | 3 | 0.0 | 0.000 | 0.163 | (1;100) | ✔ | 06/10/16 |
Ba(SbAu)2 | ICSD | 416298 | P2_1/m (11) | ✔ | 10 | 84 | 3 | 0.0 | 0.024 | 0.423 | (1;000) | ✗ | 30/01/17 |
NiF3 | ICSD | 87943 | R-3 (148) | ✔ | 8 | 62 | 3 | 0.0 | 0.000 | 0.663 | (0;000) | ✗ | 27/01/17 |
CrCd3Te4 | ICSD | 181053 | P-43m (215) | ✗ | 8 | 74 | 3 | 0.0 | 0.032 | 0.067 | (0;000) | ✔ | 06/10/16 |
SrGe | ICSD | 52703 | Cmcm (63) | ✔ | 4 | 28 | 1 | 0.0 | 0.044 | 0.168 | (0;110) | ✗ | 27/01/17 |
Sr(GaAu)2 | ICSD | 370004 | P4/nmm (129) | ✔ | 10 | 116 | 3 | 0.0 | 0.065 | 0.842 | (0;000) | ✗ | 30/01/17 |
Hf2InAu2 | ICSD | 130042 | P4/mbm (127) | ✔ | 10 | 118 | 3 | 0.0 | 0.000 | 0.997 | (1;001) | ✗ | 30/01/17 |
Sc2InAu2 | ICSD | 130040 | P4/mbm (127) | ✔ | 10 | 114 | 3 | 0.0 | 0.000 | 0.990 | (1;001) | ✗ | 30/01/17 |
Y2InAu2 | ICSD | 658835 | P4/mbm (127) | ✔ | 10 | 114 | 3 | 0.0 | 0.000 | 0.949 | (0;001) | ✗ | 30/01/17 |
Zr2InAu2 | ICSD | 130041 | P4/mbm (127) | ✔ | 10 | 86 | 3 | 0.0 | 0.000 | 0.983 | (1;001) | ✗ | 30/01/17 |