▹ Formula | ▹ Source | ▴ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
C3N4 | ICSD | 41950 | P6_3/m (176) | ✔ | 14 | 64 | 3 | 3.2842 | 3.578 | 0.000 | (0;000) | ✗ | 27/01/17 |
CaTe | ICSD | 41959 | Pnma (62) | ✔ | 8 | 64 | 3 | 0.0 | 0.022 | 0.119 | (0;000) | ✗ | 27/01/17 |
SN | ICSD | 41967 | P2_1/c (14) | ✔ | 8 | 44 | 1 | 0.0 | 0.008 | 0.092 | (0;010) | ✗ | 27/01/17 |
BaNb4O6 | ICSD | 42006 | P4/mmm (123) | ✔ | 11 | 98 | 3 | 0.0 | 0.003 | 0.660 | (1;111) | ✗ | 05/01/17 |
Na4SnS4 | ICSD | 42035 | P-42_1c (114) | ✗ | 18 | 148 | 1 | 2.2298 | 2.230 | 0.000 | (0;000) | ✗ | 29/03/17 |
PW | ICSD | 42056 | Pmnb (62) | ✔ | 8 | 76 | 3 | 0.0 | 0.003 | 0.392 | (1;011) | ✗ | 06/10/16 |
Li7Ge2 | ICSD | 42063 | Cmmm (65) | ✔ | 18 | 58 | 1 | 0.0 | 0.014 | 0.639 | (0;000) | ✗ | 02/02/17 |
LiZnSb | ICSD | 42064 | P6_3mc (186) | ✗ | 6 | 40 | 3 | 0.131 | 0.153 | 0.000 | (0;000) | ✔ | 06/10/16 |
TiS3 | ICSD | 42072 | P2_1/m (11) | ✔ | 8 | 60 | 2 | 0.0 | 0.119 | 0.107 | (0;000) | ✔ | 06/10/16 |
ZrS3 | ICSD | 42073 | P2_1/m (11) | ✔ | 8 | 44 | 2 | 0.9911 | 1.042 | 0.000 | (0;000) | ✗ | 27/01/17 |
HfS3 | ICSD | 42074 | P2_1/m (11) | ✔ | 8 | 60 | 2 | 1.1644 | 1.205 | 0.000 | (0;000) | ✗ | 27/01/17 |
HfSe3 | ICSD | 42075 | P2_1/m (11) | ✔ | 8 | 60 | 2 | 0.0 | 0.146 | 0.271 | (0;000) | ✔ | 27/01/17 |
VP2 | ICSD | 42077 | C2/m (12) | ✔ | 6 | 46 | 3 | 0.0 | 0.034 | 0.163 | (0;111) | ✔ | 27/01/17 |
CrP | ICSD | 42079 | Pmnb (62) | ✔ | 8 | 76 | 3 | 0.0 | 0.000 | 0.349 | (1;011) | ✗ | 06/10/16 |
GaCuSe2 | ICSD | 42097 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.1417 | 0.142 | 0.000 | (0;000) | ✔ | 15/02/17 |
NiAs2 | ICSD | 42116 | Pmnn (58) | ✔ | 6 | 40 | 3 | 0.0 | 0.031 | 0.445 | (1;000) | ✗ | 06/10/16 |
BaS2 | ICSD | 42134 | C2/c (15) | ✔ | 6 | 44 | 1 | 1.5646 | 1.599 | 0.000 | (0;000) | ✗ | 05/01/17 |
Ca2Bi | ICSD | 42136 | I4/mmm (139) | ✔ | 6 | 50 | 1 | 0.0 | 0.059 | 0.073 | (0;000) | ✗ | 06/10/16 |
CaCuSb | ICSD | 42137 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.463 | 0.122 | (0;000) | ✗ | 27/01/17 |
SrSi | ICSD | 42140 | Immm (71) | ✔ | 20 | 140 | 1 | 0.0 | 0.004 | 0.379 | (0;000) | ✗ | 02/02/17 |
KRb2CoF6 | ICSD | 42147 | Fm-3m (225) | ✔ | 10 | 86 | 3 | 1.2897 | 1.290 | 0.000 | (0;000) | ✗ | 27/01/17 |
Rb2NaCoF6 | ICSD | 42148 | Fm-3m (225) | ✔ | 10 | 86 | 1 | 1.1552 | 1.156 | 0.000 | (0;000) | ✗ | 27/01/17 |
Cs2NaNiF6 | ICSD | 42152 | R-3m (166) | ✔ | 20 | 158 | 1 | 0.0 | 0.001 | 0.685 | (1;111) | ✗ | 22/03/17 |
Cs2NaTiF6 | ICSD | 42153 | R-3m (166) | ✔ | 20 | 162 | 1 | 0.0 | 0.000 | 0.579 | (1;111) | ✗ | 22/03/17 |
Cs2NaCoF6 | ICSD | 42157 | R-3m (166) | ✔ | 20 | 172 | 2 | 0.666 | 0.668 | 0.000 | (0;000) | ✗ | 02/02/17 |
ZrSiCuAs | ICSD | 42165 | P4/nmm (129) | ✔ | 8 | 48 | 3 | 0.0 | 0.015 | 0.079 | (0;001) | ✗ | 05/01/17 |
CdI2 | ICSD | 42198 | P6_3mc (186) | ✗ | 12 | 104 | 1 | 1.983 | 2.174 | 0.000 | (0;000) | ✗ | 22/03/17 |
CdI2 | ICSD | 42200 | P3m1 (156) | ✗ | 24 | 208 | 1 | 1.9257 | 2.155 | 0.000 | (0;000) | ✗ | 04/08/17 |
CdI2 | ICSD | 42201 | P6_3mc (186) | ✗ | 24 | 208 | 1 | 1.9355 | 2.158 | 0.000 | (0;000) | ✗ | 04/08/17 |
CdI2 | ICSD | 42207 | P3m1 (156) | ✗ | 9 | 78 | 1 | 1.9676 | 2.198 | 0.000 | (0;000) | ✗ | 22/03/17 |
CdI2 | ICSD | 42209 | P3m1 (156) | ✗ | 15 | 130 | 1 | 1.9483 | 2.182 | 0.000 | (0;000) | ✗ | 22/03/17 |
CdI2 | ICSD | 42210 | P3m1 (156) | ✗ | 18 | 156 | 1 | 1.6622 | 1.903 | 0.000 | (0;000) | ✗ | 22/03/17 |
CdI2 | ICSD | 42211 | P3m1 (156) | ✗ | 21 | 182 | 1 | 1.9371 | 2.162 | 0.000 | (0;000) | ✗ | 07/08/17 |
CdI2 | ICSD | 42216 | P3m1 (156) | ✗ | 24 | 208 | 1 | 1.9233 | 2.148 | 0.000 | (0;000) | ✗ | 04/08/17 |
CdI2 | ICSD | 42255 | P3m1 (156) | ✗ | 18 | 156 | 1 | 1.9404 | 2.159 | 0.000 | (0;000) | ✗ | 22/03/17 |
CdI2 | ICSD | 42257 | P-3m1 (164) | ✔ | 18 | 156 | 1 | 1.9559 | 2.171 | 0.000 | (0;000) | ✗ | 02/02/17 |
CdI2 | ICSD | 42283 | P3m1 (156) | ✗ | 24 | 208 | 1 | 1.9296 | 2.144 | 0.000 | (0;000) | ✗ | 04/08/17 |
CdI2 | ICSD | 42303 | P3m1 (156) | ✗ | 21 | 182 | 1 | 1.9895 | 2.174 | 0.000 | (0;000) | ✗ | 07/08/17 |
CdI2 | ICSD | 42312 | P-3m1 (164) | ✔ | 18 | 156 | 1 | 1.9865 | 2.173 | 0.000 | (0;000) | ✗ | 02/02/17 |
V4P2C | ICSD | 42388 | P-62m (189) | ✗ | 21 | 198 | 3 | 0.0 | 0.000 | 0.817 | ? | ✗ | 07/08/17 |
FeS2 | ICSD | 42415 | Pmnn (58) | ✔ | 6 | 40 | 3 | 0.8069 | 1.148 | 0.000 | (0;000) | ✗ | 06/10/16 |
KMnBr3 | ICSD | 42441 | Pnma (62) | ✔ | 20 | 180 | 2 | 0.0 | 0.000 | 0.347 | (0;101) | ✗ | 02/02/17 |
K4MnBr6 | ICSD | 42442 | R-3c (167) | ✔ | 22 | 186 | 1 | 0.0 | 0.000 | 0.201 | (0;000) | ✗ | 07/08/17 |
CaMgGe | ICSD | 42456 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.0 | 0.026 | 0.051 | (0;000) | ✗ | 02/02/17 |
SrMgGe | ICSD | 42458 | Pnma (62) | ✔ | 12 | 96 | 1 | 0.0 | 0.014 | 0.013 | (0;000) | ✗ | 02/02/17 |
CuAgTe2 | ICSD | 42482 | Pmm2 (25) | ✗ | 4 | 34 | 2 | 0.0 | 0.001 | 0.916 | (1;000) | ✔ | 05/12/16 |
NiS | ICSD | 42493 | P6_3mc (186) | ✗ | 4 | 32 | 0 | 0.0 | 0.001 | 0.296 | (0;000) | ✔ | 06/10/16 |
KSbF6 | ICSD | 42509 | P4_2/mcm (132) | ✔ | 16 | 112 | 1 | 6.093 | 6.093 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cu3AsS4 | ICSD | 42516 | P-43m (215) | ✗ | 8 | 62 | 3 | 0.0 | 0.011 | 0.393 | (1;000) | ✔ | 05/12/16 |
FeGe2 | ICSD | 42519 | I4/mcm (140) | ✔ | 6 | 32 | 3 | 0.0 | 0.013 | 0.346 | (0;000) | ✗ | 27/01/17 |
Hf2Si | ICSD | 42523 | I4/mcm (140) | ✔ | 6 | 56 | 3 | 0.0 | 0.011 | 0.330 | (1;000) | ✗ | 27/01/17 |
Hf2Ge | ICSD | 42524 | I4/mcm (140) | ✔ | 6 | 56 | 3 | 0.0 | 0.001 | 0.346 | (1;000) | ✗ | 27/01/17 |
Co3Se4 | ICSD | 42538 | Fd-3m (227) | ✔ | 14 | 150 | 3 | 0.0 | 0.000 | 0.329 | (0;000) | ✗ | 02/02/17 |
CoSe2 | ICSD | 42540 | Pnnm (58) | ✔ | 6 | 58 | 3 | 0.0 | 0.000 | 0.810 | (0;000) | ✗ | 27/01/17 |
Fe3C | ICSD | 42542 | P6_322 (182) | ✗ | 8 | 56 | 3 | 0.0 | 0.000 | 0.433 | ? | ✗ | 15/02/17 |
BiTePt | ICSD | 42549 | P2_13 (198) | ✗ | 12 | 84 | 3 | 0.0 | 0.000 | 0.739 | ? | ✗ | 06/10/16 |
Te2Pd | ICSD | 42554 | P-3m1 (164) | ✔ | 3 | 22 | 3 | 0.0 | 0.211 | 0.316 | (1;000) | ✗ | 06/10/16 |
Ni3Se4 | ICSD | 42558 | C2/m (12) | ✔ | 7 | 54 | 3 | 0.0 | 0.040 | 0.597 | (0;000) | ✔ | 06/10/16 |
FeNiPt2 | ICSD | 42564 | P4/mmm (123) | ✔ | 4 | 38 | 3 | 0.0 | 0.005 | 0.799 | (0;000) | ✗ | 27/01/17 |
Bi2Pd | ICSD | 42565 | C2/m (12) | ✔ | 6 | 80 | 3 | 0.0 | 0.126 | 0.692 | (1;000) | ✔ | 06/10/16 |
Bi2Pt | ICSD | 42567 | Pa3 (205) | ✔ | 12 | 80 | 3 | 0.0 | 0.008 | 0.123 | (0;000) | ✗ | 06/10/16 |
AsRh | ICSD | 42572 | Pmnb (62) | ✔ | 8 | 88 | 3 | 0.0 | 0.044 | 0.380 | (0;000) | ✗ | 06/10/16 |
As2Ir | ICSD | 42573 | P2_1/c (14) | ✔ | 12 | 76 | 3 | 0.9232 | 1.038 | 0.000 | (0;000) | ✗ | 06/10/16 |
AsRu | ICSD | 42577 | Pmnb (62) | ✔ | 8 | 84 | 3 | 0.0 | 0.002 | 0.208 | (0;011) | ✗ | 06/10/16 |
As2Ru | ICSD | 42578 | Pmnn (58) | ✔ | 6 | 52 | 3 | 0.2439 | 0.936 | 0.000 | (0;000) | ✗ | 06/10/16 |
CuTe | ICSD | 42592 | Pmmn (59) | ✔ | 4 | 34 | 1 | 0.0 | 0.000 | 0.952 | (1;010) | ✗ | 02/02/17 |
SnPd2 | ICSD | 42595 | Pnma (62) | ✔ | 12 | 200 | 3 | 0.0 | 0.027 | 0.491 | (0;000) | ✗ | 27/01/17 |
NiSe | ICSD | 42596 | R3m (160) | ✗ | 6 | 48 | 3 | 0.0 | 0.000 | 0.474 | (1;000) | ✔ | 06/10/16 |
P2Ru | ICSD | 42607 | Pmnn (58) | ✔ | 6 | 52 | 3 | 0.5463 | 1.339 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sb2Ru | ICSD | 42608 | Pmnn (58) | ✔ | 6 | 52 | 3 | 0.0682 | 0.627 | 0.000 | (0;000) | ✗ | 06/10/16 |
P2Os | ICSD | 42609 | Pmnn (58) | ✔ | 6 | 52 | 3 | 0.727 | 1.144 | 0.000 | (0;000) | ✗ | 06/10/16 |
As2Os | ICSD | 42610 | Pmnn (58) | ✔ | 6 | 52 | 3 | 0.6535 | 1.171 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sb2Os | ICSD | 42611 | Pmnn (58) | ✔ | 6 | 52 | 3 | 0.4307 | 0.991 | 0.000 | (0;000) | ✗ | 06/10/16 |
P2Rh | ICSD | 42615 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.6698 | 0.670 | 0.000 | (0;000) | ✗ | 27/01/17 |
Sb2Ir | ICSD | 42620 | P2_1/c (14) | ✔ | 12 | 108 | 3 | 0.5983 | 0.849 | 0.000 | (0;000) | ✗ | 02/02/17 |
YBC | ICSD | 42626 | Cmmm (65) | ✔ | 6 | 36 | 3 | 0.0 | 0.006 | 0.641 | (1;110) | ✗ | 27/01/17 |
Bi8Se9 | ICSD | 42665 | R-3m (166) | ✔ | 17 | 94 | 2 | 0.0 | 0.024 | 0.183 | (0;111) | ✗ | 06/10/16 |
Zn(InS2)2 | ICSD | 42667 | R3m (160) | ✗ | 7 | 62 | 2 | 0.0 | 0.011 | 0.068 | (1;000) | ✔ | 06/10/16 |
Zn(InS2)2 | ICSD | 42668 | P-3m1 (164) | ✔ | 14 | 124 | 1 | 0.0 | 0.010 | 0.178 | (0;001) | ✗ | 02/02/17 |
ZnSnSb2 | ICSD | 42669 | I-42d (122) | ✗ | 8 | 72 | 3 | 0.0 | 0.007 | 0.020 | (1;000) | ✔ | 07/10/16 |
Cu3SbS4 | ICSD | 42672 | Pmn2_1 (31) | ✗ | 16 | 124 | 3 | 0.5599 | 0.560 | 0.000 | (0;000) | ✗ | 22/03/17 |
Sb | ICSD | 42678 | P2_1/m (11) | ✔ | 4 | 20 | 2 | 0.0 | 0.099 | 0.336 | (0;000) | ✗ | 27/01/17 |
Bi | ICSD | 42679 | P2_1/m (11) | ✔ | 4 | 60 | 3 | 0.0 | 0.015 | 0.308 | (1;111) | ✗ | 05/01/17 |
Bi4Te7Pb | ICSD | 42707 | P-3m1 (164) | ✔ | 12 | 116 | 3 | 0.0 | 0.056 | 0.062 | (1;001) | ✗ | 02/02/17 |
Bi2Te5Pb2 | ICSD | 42708 | P-3m1 (164) | ✔ | 9 | 88 | 3 | 0.0 | 0.002 | 0.115 | (1;000) | ✗ | 02/02/17 |
FeS2 | ICSD | 42726 | P2nn (34) | ✗ | 6 | 40 | 3 | 0.7907 | 1.143 | 0.000 | (0;000) | ✗ | 06/10/16 |
FeTe2 | ICSD | 42727 | P2nn (34) | ✗ | 6 | 40 | 3 | 0.0 | 0.598 | 0.025 | (0;000) | ✔ | 06/10/16 |
CdP2 | ICSD | 42732 | Pna2_1 (33) | ✗ | 12 | 88 | 3 | 1.4322 | 1.723 | 0.000 | (0;000) | ✗ | 22/03/17 |
Sb2Pt3 | ICSD | 42752 | Ibam (72) | ✔ | 10 | 80 | 3 | 0.0 | 0.011 | 0.382 | (0;111) | ✗ | 27/01/17 |
Nb4C3 | ICSD | 42758 | Pm-3m (221) | ✔ | 7 | 64 | 3 | 0.0 | 0.018 | 0.594 | (1;111) | ✗ | 27/01/17 |
Sc4C3 | ICSD | 42760 | I-43d (220) | ✗ | 14 | 112 | 3 | 0.3306 | 0.331 | 0.000 | (0;000) | ✔ | 21/03/17 |
Ge3Rh5 | ICSD | 42776 | Pbam (55) | ✔ | 16 | 194 | 3 | 0.0 | 0.000 | 0.892 | (1;100) | ✗ | 02/02/17 |
PO2 | ICSD | 42777 | C2/c (15) | ✔ | 24 | 136 | 1 | 4.3291 | 4.408 | 0.000 | (0;000) | ✗ | 04/08/17 |
ZnS | ICSD | 42799 | P3m1 (156) | ✗ | 24 | 216 | 2 | 0.0 | 0.021 | 0.469 | ? | ✗ | 04/08/17 |
KCBr(NO2)2 | ICSD | 42826 | P-1 (2) | ✔ | 18 | 108 | 1 | 1.9756 | 2.042 | 0.000 | (0;000) | ✗ | 02/02/17 |
GeSb4Te7 | ICSD | 42875 | P-3m1 (164) | ✔ | 12 | 66 | 2 | 0.056 | 0.111 | 0.000 | (1;001) | ✗ | 02/02/17 |
ZrBi2 | ICSD | 42880 | Pmnn (58) | ✔ | 24 | 112 | 3 | 0.0 | 0.026 | 0.279 | (0;000) | ✗ | 06/10/16 |
CuAsSe2 | ICSD | 42884 | R3m (160) | ✗ | 4 | 28 | 3 | 0.0 | 0.298 | 0.023 | (0;000) | ✔ | 06/10/16 |
GeBi4Te7 | ICSD | 42891 | P-3m1 (164) | ✔ | 12 | 106 | 3 | 0.0 | 0.074 | 0.057 | (1;001) | ✗ | 02/02/17 |
MnNbGe | ICSD | 42911 | P-62m (189) | ✗ | 9 | 96 | 3 | 0.0 | 0.000 | 0.690 | ? | ✗ | 06/10/16 |