▹ Formula | ▹ Source | ▴ ID | ▹ space group | ▹ centered | ▹ nat | ▹ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
ZrTe5 | ICSD | 85506 | Cmcm (63) | ✔ | 12 | 68 | 2 | 0.0 | 0.041 | 0.021 | (1;110) | ✗ | 02/02/17 |
HfTe5 | ICSD | 85508 | Cmcm (63) | ✔ | 12 | 84 | 2 | 0.0829 | 0.086 | 0.000 | (1;110) | ✗ | 06/10/16 |
SiCl2 | ICSD | 85526 | P2_12_12_1 (19) | ✗ | 12 | 72 | 1 | 2.0261 | 2.091 | 0.000 | (0;000) | ✗ | 22/03/17 |
Mg5Si6 | ICSD | 85529 | C2/m (12) | ✔ | 11 | 74 | 3 | 0.0 | 0.003 | 0.856 | (1;110) | ✗ | 27/01/17 |
InPO4 | ICSD | 85579 | Pnma (62) | ✔ | 24 | 168 | 3 | 3.2206 | 3.365 | 0.000 | (0;000) | ✗ | 04/08/17 |
CsCdAuS2 | ICSD | 85581 | Cmme (67) | ✔ | 10 | 88 | 2 | 2.1236 | 2.236 | 0.000 | (0;000) | ✗ | 30/01/17 |
RbCdAuS2 | ICSD | 85582 | Pcca (54) | ✔ | 20 | 176 | 2 | 1.9477 | 2.222 | 0.000 | (0;000) | ✗ | 21/03/17 |
Cs2Sn2Hg3S8 | ICSD | 85598 | P-1 (2) | ✔ | 15 | 130 | 1 | 1.743 | 1.786 | 0.000 | (0;000) | ✗ | 02/02/17 |
Ni(C2N3)2 | ICSD | 85617 | Pnnm (58) | ✔ | 22 | 112 | 3 | 0.0 | 0.004 | 0.267 | (0;000) | ✗ | 04/08/17 |
Sc2SiB2Ir5 | ICSD | 85629 | P4/mbm (127) | ✔ | 20 | 234 | 3 | 0.0 | 0.000 | 0.906 | (1;000) | ✗ | 02/02/17 |
Sc2VB2Ir5 | ICSD | 85630 | P4/mbm (127) | ✔ | 20 | 252 | 3 | 0.0 | 0.006 | 0.899 | (1;001) | ✗ | 21/03/17 |
K2PAuS4 | ICSD | 85679 | P2_1/m (11) | ✔ | 16 | 116 | 2 | 1.308 | 1.308 | 0.000 | (0;000) | ✗ | 02/02/17 |
Tl2PAuS4 | ICSD | 85680 | P2_1/m (11) | ✔ | 16 | 132 | 2 | 0.9005 | 0.970 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2AsAuS4 | ICSD | 85681 | P2_1/m (11) | ✔ | 16 | 116 | 3 | 0.8772 | 0.877 | 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 |
HgC2(SeN)2 | ICSD | 85760 | P2_1/c (14) | ✔ | 14 | 84 | 2 | 2.326 | 2.434 | 0.000 | (0;000) | ✗ | 02/02/17 |
SrTiN2 | ICSD | 85770 | P4/nmm (129) | ✔ | 8 | 64 | 2 | 0.7908 | 0.791 | 0.000 | (0;000) | ✗ | 27/01/17 |
AuCN | ICSD | 85782 | P6mm (183) | ✗ | 3 | 20 | 3 | 0.0 | 0.999 | 0.053 | (0;000) | ✔ | 06/10/16 |
AgCN | ICSD | 85783 | R3m (160) | ✗ | 3 | 20 | 1 | 2.5177 | 3.110 | 0.000 | (0;000) | ✗ | 06/10/16 |
Cu3TeS3Cl | ICSD | 85789 | R3m (160) | ✗ | 8 | 64 | 3 | 0.8482 | 0.848 | 0.000 | (0;000) | ✗ | 15/02/17 |
TaMnP | ICSD | 85947 | Pnma (62) | ✔ | 12 | 132 | 3 | 0.0 | 0.001 | 0.656 | (0;011) | ✗ | 27/01/17 |
Hf6NiSb2 | ICSD | 85966 | P-62m (189) | ✗ | 9 | 92 | 3 | 0.0 | 0.000 | 0.952 | ? | ✗ | 06/10/16 |
Cu3Ge | ICSD | 86003 | Pnmm (59) | ✔ | 8 | 74 | 3 | 0.0 | 0.000 | 0.913 | (1;000) | ✗ | 06/10/16 |
Y4C7 | ICSD | 86049 | P2_1/c (14) | ✔ | 22 | 144 | 3 | 0.0 | 0.012 | 0.192 | (1;010) | ✗ | 04/08/17 |
KNO2 | ICSD | 86117 | P2_1/c (14) | ✔ | 16 | 104 | 1 | 2.4941 | 2.579 | 0.000 | (0;000) | ✗ | 02/02/17 |
WO3 | ICSD | 86144 | P-42_1m (113) | ✗ | 16 | 184 | 3 | 0.7896 | 0.923 | 0.000 | (0;000) | ✗ | 11/04/17 |
Ni2W3N | ICSD | 86170 | P4_132 (213) | ✗ | 24 | 436 | 3 | 0.0 | 0.000 | 0.578 | ? | ✗ | 04/08/17 |
TaNi2TeSe | ICSD | 86174 | Pnma (62) | ✔ | 20 | 180 | 2 | 0.0 | 0.001 | 0.907 | (0;011) | ✗ | 02/02/17 |
Ba2TlCuHgO5 | ICSD | 86200 | I4mm (107) | ✗ | 10 | 86 | 3 | 0.0 | 0.000 | 0.592 | ? | ✗ | 15/02/17 |
CaCl2 | ICSD | 86209 | Pnma (62) | ✔ | 12 | 96 | 1 | 2.4831 | 2.483 | 0.000 | (0;000) | ✗ | 02/02/17 |
HfFeP | ICSD | 86280 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.000 | 0.589 | (1;011) | ✗ | 27/01/17 |
GeAs | ICSD | 86361 | C2/m (12) | ✔ | 12 | 54 | 3 | 0.3292 | 0.355 | 0.000 | (0;000) | ✗ | 30/01/17 |
ScNiGe | ICSD | 86365 | Pnma (62) | ✔ | 12 | 100 | 3 | 0.0 | 0.001 | 0.703 | (0;011) | ✗ | 27/01/17 |
ScMnSi | ICSD | 86369 | P-62m (189) | ✗ | 9 | 90 | 3 | 0.0 | 0.000 | 0.732 | ? | ✗ | 06/10/16 |
Ta4FeP | ICSD | 86378 | P4/mcc (124) | ✔ | 12 | 130 | 3 | 0.0 | 0.000 | 0.735 | (1;110) | ✗ | 27/01/17 |
SrZnSi | ICSD | 86388 | P6_3/mmc (194) | ✔ | 6 | 52 | 2 | 0.0 | 0.024 | 0.246 | (0;000) | ✗ | 27/01/17 |
ScSiCu | ICSD | 86391 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.029 | 0.292 | (1;000) | ✗ | 27/01/17 |
ScSiCu | ICSD | 86392 | P-62m (189) | ✗ | 9 | 78 | 3 | 0.0 | 0.005 | 0.238 | ? | ✗ | 06/10/16 |
BaAs3 | ICSD | 86402 | C2/m (12) | ✔ | 8 | 50 | 1 | 0.0 | 0.032 | 0.224 | (1;001) | ✔ | 30/01/17 |
Sr2TlCuO5 | ICSD | 86427 | Pmmm (47) | ✔ | 9 | 74 | 3 | 0.0 | 0.009 | 0.469 | (0;001) | ✗ | 27/01/17 |
Sr2Sc2B4O11 | ICSD | 86435 | P-1 (2) | ✔ | 19 | 120 | 3 | 4.5568 | 4.606 | 0.000 | (0;000) | ✗ | 02/02/17 |
CNCl | ICSD | 86484 | C2/c (15) | ✔ | 18 | 96 | 1 | 3.7201 | 3.910 | 0.000 | (0;000) | ✗ | 02/02/17 |
Y2Ge5Ir3 | ICSD | 86503 | Ibam (72) | ✔ | 20 | 186 | 3 | 0.0 | 0.001 | 0.569 | (1;010) | ✗ | 02/02/17 |
FeTe2 | ICSD | 86518 | Pmnn (58) | ✔ | 6 | 40 | 3 | 0.0 | 0.691 | 0.013 | (0;000) | ✗ | 06/10/16 |
Hf3(NiGe)4 | ICSD | 86690 | Immm (71) | ✔ | 11 | 92 | 3 | 0.0 | 0.030 | 0.168 | (1;111) | ✗ | 27/01/17 |
HfGePt | ICSD | 86691 | Pnma (62) | ✔ | 12 | 104 | 3 | 0.0 | 0.029 | 0.074 | (1;000) | ✗ | 27/01/17 |
Nb3TeI7 | ICSD | 86724 | P3m1 (156) | ✗ | 11 | 94 | 2 | 0.4176 | 0.421 | 0.000 | (0;000) | ✔ | 06/10/16 |
ZrTe3 | ICSD | 86764 | P2_1/m (11) | ✔ | 8 | 44 | 2 | 0.0 | 0.050 | 0.531 | (0;000) | ✗ | 02/02/17 |
Li2VGeO5 | ICSD | 86777 | P4/nmm (129) | ✔ | 18 | 106 | 2 | 0.0 | 0.000 | 0.908 | (1;000) | ✗ | 27/01/17 |
BaBeSiO4 | ICSD | 86792 | Cm (8) | ✗ | 7 | 42 | 1 | 4.4044 | 4.449 | 0.000 | (0;000) | ✗ | 15/02/17 |
TiSi2 | ICSD | 86810 | Fmmm (69) | ✔ | 3 | 20 | 3 | 0.0 | 0.003 | 0.728 | (1;000) | ✗ | 06/10/16 |
CrSb2 | ICSD | 86811 | I4/mcm (140) | ✔ | 6 | 48 | 3 | 0.0 | 0.006 | 0.448 | (0;000) | ✗ | 27/01/17 |
SrRuO3 | ICSD | 86940 | I4/mcm (140) | ✔ | 10 | 88 | 3 | 0.0 | 0.011 | 0.547 | (0;000) | ✗ | 27/01/17 |
Ba7(ClF6)2 | ICSD | 87084 | P-6 (174) | ✗ | 21 | 168 | 1 | 6.1133 | 6.113 | 0.000 | (0;000) | ✗ | 04/08/17 |
Ba3Y4O9 | ICSD | 87118 | R3 (146) | ✗ | 16 | 128 | 3 | 3.2201 | 3.222 | 0.000 | (0;000) | ✗ | 21/03/17 |
Fe2C | ICSD | 87128 | Pnnm (58) | ✔ | 6 | 40 | 3 | 0.0 | 0.005 | 0.565 | (0;110) | ✗ | 27/01/17 |
SiP | ICSD | 87149 | Cmc2_1 (36) | ✗ | 24 | 108 | 2 | 1.1331 | 1.265 | 0.000 | (0;000) | ✗ | 04/08/17 |
Zr(Fe2Si)2 | ICSD | 87172 | P4_2/mnm (136) | ✔ | 14 | 88 | 3 | 0.0 | 0.001 | 0.392 | (0;000) | ✗ | 27/01/17 |
HfSi2Cu | ICSD | 87174 | P4/nmm (129) | ✔ | 8 | 62 | 3 | 0.0 | 0.000 | 0.899 | (1;000) | ✗ | 27/01/17 |
NaO2 | ICSD | 87181 | Pnnm (58) | ✔ | 6 | 42 | 1 | 0.0 | 0.000 | 0.983 | (0;101) | ✗ | 27/01/17 |
ZrSiCu | ICSD | 87198 | Pnma (62) | ✔ | 12 | 76 | 3 | 0.0 | 0.000 | 0.324 | (0;011) | ✗ | 27/01/17 |
Zr3(SiCu)4 | ICSD | 87200 | Immm (71) | ✔ | 11 | 72 | 3 | 0.0 | 0.006 | 0.540 | (0;111) | ✗ | 27/01/17 |
Hf3(SiCu)4 | ICSD | 87201 | Immm (71) | ✔ | 11 | 96 | 3 | 0.0 | 0.017 | 0.509 | (0;111) | ✗ | 27/01/17 |
Ga3Ni5Ge2 | ICSD | 87203 | Cmcm (63) | ✔ | 20 | 194 | 3 | 0.0 | 0.000 | 0.978 | (0;000) | ✗ | 02/02/17 |
Na2PtS2 | ICSD | 87219 | Cmc2_1 (36) | ✗ | 10 | 80 | 1 | 1.1175 | 1.485 | 0.000 | (0;000) | ✗ | 06/10/16 |
CsMgBr3 | ICSD | 87260 | P6_3/mmc (194) | ✔ | 10 | 80 | 1 | 4.2366 | 4.237 | 0.000 | (0;000) | ✗ | 02/02/17 |
CsMgI3 | ICSD | 87262 | P6_3/mmc (194) | ✔ | 10 | 80 | 1 | 3.1028 | 3.128 | 0.000 | (0;000) | ✗ | 02/02/17 |
Te | ICSD | 87272 | P2_1 (4) | ✗ | 4 | 24 | 3 | 0.0 | 0.115 | 0.587 | ? | ✗ | 15/02/17 |
TaPO5 | ICSD | 87281 | P4/n (85) | ✔ | 14 | 96 | 3 | 4.0586 | 4.475 | 0.000 | (0;000) | ✗ | 27/01/17 |
NiGePt2 | ICSD | 87348 | Fmmm (69) | ✔ | 8 | 68 | 3 | 0.0 | 0.025 | 0.298 | (0;000) | ✗ | 27/01/17 |
Zr2Al3C5 | ICSD | 87349 | P6_3/mmc (194) | ✔ | 20 | 74 | 3 | 0.0 | 0.000 | 0.853 | (1;000) | ✗ | 02/02/17 |
ZrNiP | ICSD | 87358 | P6_3/mmc (194) | ✔ | 6 | 38 | 3 | 0.0 | 0.000 | 0.716 | (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 |
SrLi4N2 | ICSD | 87413 | I4_1/amd (141) | ✔ | 14 | 64 | 1 | 0.9167 | 1.149 | 0.000 | (0;000) | ✗ | 29/03/17 |
SrLiN | ICSD | 87414 | P4_2/mmc (131) | ✔ | 6 | 36 | 1 | 0.2644 | 0.825 | 0.000 | (0;000) | ✗ | 27/01/17 |
FeS | ICSD | 87502 | P6_3mc (186) | ✗ | 16 | 112 | 3 | 0.0 | 0.002 | 0.580 | ? | ✗ | 22/03/17 |
Li2TiSiO5 | ICSD | 87596 | P4/nmm (129) | ✔ | 18 | 104 | 2 | 3.363 | 3.614 | 0.000 | (0;000) | ✗ | 04/08/17 |
CaAlSiO4F | ICSD | 87663 | C2/c (15) | ✔ | 16 | 96 | 3 | 5.4487 | 5.449 | 0.000 | (0;000) | ✗ | 05/01/17 |
CaBiCO4F | ICSD | 87759 | Pmmn (59) | ✔ | 16 | 120 | 1 | 0.0 | 0.006 | 0.260 | (0;000) | ✗ | 27/01/17 |
CaPbO3 | ICSD | 87825 | Pnma (62) | ✔ | 20 | 168 | 3 | 1.0162 | 1.016 | 0.000 | (0;000) | ✗ | 02/02/17 |
Co4SnSb12 | ICSD | 87886 | Im3 (204) | ✔ | 17 | 142 | 3 | 0.0 | 0.000 | 0.669 | (1;000) | ✗ | 02/02/17 |
FeHgC4(SN)4 | ICSD | 87888 | I-4 (82) | ✗ | 14 | 80 | 3 | 0.0 | 0.005 | 0.899 | ? | ✗ | 21/03/17 |
NiGePd | ICSD | 87913 | P4/nmm (129) | ✔ | 6 | 64 | 3 | 0.0 | 0.022 | 0.282 | (1;000) | ✗ | 27/01/17 |
Te2Pd3 | ICSD | 87915 | Cmcm (63) | ✔ | 10 | 132 | 3 | 0.0 | 0.011 | 0.630 | (0;000) | ✗ | 27/01/17 |
NiF3 | ICSD | 87943 | R-3 (148) | ✔ | 8 | 62 | 3 | 0.0 | 0.000 | 0.663 | (0;000) | ✗ | 27/01/17 |
K2FeH4(SO5)2 | ICSD | 87958 | P-1 (2) | ✔ | 19 | 102 | 2 | 0.6694 | 0.669 | 0.000 | (0;000) | ✗ | 02/02/17 |
KMnTe2 | ICSD | 87983 | I-4m2 (119) | ✗ | 4 | 36 | 2 | 0.0 | 0.002 | 0.598 | (1;110) | ✔ | 07/10/16 |
RbMnTe2 | ICSD | 87984 | I-4m2 (119) | ✗ | 4 | 36 | 2 | 0.0 | 0.003 | 0.593 | (1;010) | ✔ | 07/10/16 |
Ca(BC)2 | ICSD | 88019 | I4/mcm (140) | ✔ | 10 | 48 | 2 | 0.4846 | 1.005 | 0.000 | (0;000) | ✗ | 27/01/17 |
MgC2 | ICSD | 88057 | P4_2/mnm (136) | ✔ | 6 | 36 | 2 | 2.874 | 3.338 | 0.000 | (0;000) | ✗ | 27/01/17 |
YSiRu | ICSD | 88063 | Pnma (62) | ✔ | 12 | 124 | 3 | 0.0 | 0.000 | 0.738 | (0;011) | ✗ | 02/02/17 |
YGe3 | ICSD | 88075 | Cmcm (63) | ✔ | 8 | 46 | 3 | 0.0 | 0.000 | 0.736 | (0;000) | ✗ | 27/01/17 |
BaC2 | ICSD | 88102 | C2/c (15) | ✔ | 6 | 36 | 1 | 1.9008 | 2.015 | 0.000 | (0;000) | ✗ | 27/01/17 |
Y3Ge4 | ICSD | 88105 | Cmcm (63) | ✔ | 14 | 98 | 3 | 0.0 | 0.000 | 0.868 | (0;110) | ✗ | 02/02/17 |
YTiSi | ICSD | 88113 | P4/nmm (129) | ✔ | 6 | 54 | 3 | 0.0 | 0.000 | 0.677 | (0;001) | ✗ | 27/01/17 |
Ca4PdO6 | ICSD | 88134 | R-3c (167) | ✔ | 22 | 188 | 2 | 1.6098 | 1.610 | 0.000 | (0;000) | ✗ | 07/08/17 |
Sr4PdO6 | ICSD | 88135 | R-3c (167) | ✔ | 22 | 188 | 2 | 1.4423 | 1.449 | 0.000 | (0;000) | ✗ | 07/08/17 |
Sr2ScIrO6 | ICSD | 88152 | P2_1/c (14) | ✔ | 20 | 168 | 3 | 0.0 | 0.241 | 0.069 | (0;000) | ✗ | 02/02/17 |
Ba2ScIrO6 | ICSD | 88153 | C2/m (12) | ✔ | 10 | 84 | 3 | 0.0 | 0.291 | 0.410 | (0;000) | ✗ | 02/02/17 |
Sr2YIrO6 | ICSD | 88154 | P2_1/c (14) | ✔ | 20 | 168 | 3 | 0.0 | 0.013 | 0.129 | (0;000) | ✗ | 02/02/17 |