▹ Formula | ▹ Source | ▹ ID | ▹ space group | ▹ centered | ▹ nat | ▴ ne | ▹ dim | ▹ gap | ▹ dir. gap | ▹ met. | ▹ ν | wcc | ▹ updated |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
K3InP2 | ICSD | 300141 | Ibam (72) | ✔ | 12 | 100 | 1 | 0.8449 | 0.857 | 0.000 | (0;000) | ✗ | 02/02/17 |
IO3 | ICSD | 182673 | P-1 (2) | ✔ | 16 | 100 | 2 | 1.7136 | 1.767 | 0.000 | (0;000) | ✗ | 02/02/17 |
K2SnSe3 | ICSD | 300234 | P-1 (2) | ✔ | 12 | 100 | 1 | 1.7684 | 1.768 | 0.000 | (0;000) | ✗ | 02/02/17 |
Mg(FeO2)2 | COD | 1011245 | Fd-3m (227) | ✔ | 14 | 100 | 3 | 0.0 | 0.006 | 0.342 | (0;000) | ✗ | 27/01/17 |
KTeP2 | COD | 4105329 | P2_1/m (11) | ✔ | 16 | 100 | 1 | 1.0863 | 1.302 | 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 |
As4S5 | COD | 9012102 | P2_1/m (11) | ✔ | 18 | 100 | 1 | 1.7978 | 2.005 | 0.000 | (0;000) | ✗ | 30/01/17 |
Fe2NiO4 | ICSD | 52387 | Fd-3m (227) | ✔ | 14 | 100 | 3 | 0.0 | 0.000 | 0.790 | (0;000) | ✗ | 27/01/17 |
CuS | COD | 9008372 | P6_3/mmc (194) | ✔ | 12 | 102 | 3 | 0.0 | 0.000 | 0.929 | (1;000) | ✗ | 27/01/17 |
V3Cd | ICSD | 620584 | Pm-3n (223) | ✔ | 8 | 102 | 3 | 0.0 | 0.000 | 0.915 | (0;000) | ✗ | 27/01/17 |
CdCuF4 | COD | 4030528 | I4/mcm (140) | ✔ | 12 | 102 | 3 | 0.0 | 0.003 | 0.620 | (0;000) | ✗ | 27/01/17 |
Fe2PO5 | COD | 1008736 | C2/c (15) | ✔ | 16 | 102 | 3 | 0.0 | 0.000 | 0.683 | (0;100) | ✗ | 27/01/17 |
MgGaAu | ICSD | 192086 | P-62m (189) | ✗ | 9 | 102 | 3 | 0.0 | 0.033 | 0.628 | (0;100) | ✔ | 05/12/16 |
YBPt2 | ICSD | 156946 | P6_222 (180) | ✗ | 12 | 102 | 3 | 0.0 | 0.009 | 0.363 | ? | ✗ | 06/10/16 |
YBPt2 | ICSD | 156947 | P6_222 (180) | ✗ | 12 | 102 | 3 | 0.0 | 0.012 | 0.375 | ? | ✗ | 06/10/16 |
VCrO4 | ICSD | 36244 | Cmcm (63) | ✔ | 12 | 102 | 3 | 0.0 | 0.000 | 0.572 | (0;000) | ✗ | 27/01/17 |
BaZnO2 | ICSD | 25559 | P3_121 (152) | ✗ | 12 | 102 | 3 | 2.3832 | 2.392 | 0.000 | (0;000) | ✗ | 06/10/16 |
BaZnO2 | ICSD | 25812 | P3_121 (152) | ✗ | 12 | 102 | 3 | 2.4305 | 2.431 | 0.000 | (0;000) | ✗ | 06/10/16 |
Na3Co2SbO6 | ICSD | 245538 | C2/m (12) | ✔ | 12 | 102 | 2 | 0.0 | 0.015 | 0.370 | (0;000) | ✗ | 27/01/17 |
Pb(CS)2 | COD | 4107278 | P6/mmm (191) | ✔ | 15 | 102 | 3 | 0.7085 | 0.710 | 0.000 | (0;000) | ✗ | 02/02/17 |
YZnSn2 | ICSD | 183309 | P4/nmm (129) | ✔ | 8 | 102 | 3 | 0.0 | 0.000 | 0.809 | (0;001) | ✗ | 27/01/17 |
CsMn(CN)3 | COD | 4314775 | Fm-3m (225) | ✔ | 16 | 102 | 3 | 0.0 | 0.016 | 0.649 | (0;000) | ✗ | 02/02/17 |
Cu(CO)4 | ICSD | 415406 | C2/c (15) | ✔ | 18 | 102 | 3 | 0.0 | 0.000 | 0.504 | (1;011) | ✗ | 02/02/17 |
Cr3PC | ICSD | 617527 | Cmcm (63) | ✔ | 10 | 102 | 3 | 0.0 | 0.000 | 0.956 | (0;110) | ✗ | 27/01/17 |
Fe5B2P | COD | 1510698 | I4/mcm (140) | ✔ | 16 | 102 | 3 | 0.0 | 0.001 | 0.760 | (1;000) | ✗ | 05/01/17 |
Y(BIr)2 | COD | 1510721 | Fddd (70) | ✔ | 10 | 102 | 3 | 0.0 | 0.000 | 0.745 | (1;111) | ✗ | 05/01/17 |
HfGaCo | ICSD | 623085 | P-62m (189) | ✗ | 9 | 102 | 3 | 0.0 | 0.000 | 0.782 | ? | ✗ | 06/10/16 |
BaCo2(PO4)2 | ICSD | 250709 | P-3 (147) | ✔ | 13 | 102 | 2 | 0.0 | 0.025 | 0.281 | (0;000) | ✗ | 05/01/17 |
Ba(FeSb3)4 | ICSD | 658735 | Im3 (204) | ✔ | 17 | 102 | 3 | 0.0 | 0.012 | 0.521 | (0;000) | ✗ | 02/02/17 |
Co | ICSD | 27504 | Fd-3m (227) | ✔ | 6 | 102 | 3 | 0.0 | 0.000 | 0.681 | (0;000) | ✗ | 27/01/17 |
VH2SeO5 | ICSD | 69994 | P-1 (2) | ✔ | 18 | 102 | 3 | 0.0 | 0.064 | 0.004 | (0;000) | ✗ | 02/02/17 |
YMgGa | ICSD | 160909 | P-62m (189) | ✗ | 9 | 102 | 3 | 0.0 | 0.019 | 0.169 | (0;000) | ✔ | 28/10/16 |
ZrGaRh | ICSD | 635225 | P-62m (189) | ✗ | 9 | 102 | 3 | 0.0 | 0.000 | 0.743 | ? | ✗ | 06/10/16 |
Fe5Si2B | ICSD | 614184 | I4/mcm (140) | ✔ | 16 | 102 | 3 | 0.0 | 0.000 | 0.783 | (1;111) | ✗ | 05/01/17 |
K2Hg7 | ICSD | 107482 | P-3m1 (164) | ✔ | 9 | 102 | 3 | 0.0 | 0.000 | 0.665 | (0;001) | ✗ | 02/02/17 |
LiVCuO4 | ICSD | 290739 | Imma (74) | ✔ | 14 | 102 | 3 | 0.0 | 0.001 | 0.627 | (1;100) | ✗ | 27/01/17 |
Hf2Si4Cu | ICSD | 627913 | Cmcm (63) | ✔ | 14 | 102 | 3 | 0.0 | 0.000 | 0.852 | (0;110) | ✗ | 02/02/17 |
Ca(FeSb3)4 | ICSD | 248622 | Im3 (204) | ✔ | 17 | 102 | 3 | 0.0 | 0.010 | 0.669 | (0;000) | ✗ | 02/02/17 |
HfSb | ICSD | 107591 | Cmcm (63) | ✔ | 12 | 102 | 3 | 0.0 | 0.000 | 0.647 | (1;000) | ✗ | 02/02/17 |
Sc(Fe2Si)2 | ICSD | 633444 | P4_2/mnm (136) | ✔ | 14 | 102 | 3 | 0.0 | 0.000 | 0.890 | (0;110) | ✗ | 27/01/17 |
SrHgO2 | ICSD | 69739 | P3_2 (145) | ✗ | 12 | 102 | 2 | 2.4955 | 2.570 | 0.000 | (0;000) | ✗ | 06/10/16 |
Sr(FeSb3)4 | ICSD | 658733 | Im3 (204) | ✔ | 17 | 102 | 3 | 0.0 | 0.011 | 0.533 | (0;000) | ✗ | 02/02/17 |
Y(Fe2Si)2 | ICSD | 633644 | P4_2/mnm (136) | ✔ | 14 | 102 | 3 | 0.0 | 0.000 | 0.912 | (0;000) | ✗ | 27/01/17 |
Rb2Hg7 | ICSD | 107483 | P-3m1 (164) | ✔ | 9 | 102 | 3 | 0.0 | 0.003 | 0.699 | (0;000) | ✗ | 02/02/17 |
YMgIn | ICSD | 160910 | P-62m (189) | ✗ | 9 | 102 | 3 | 0.0 | 0.035 | 0.237 | ? | ✗ | 06/10/16 |
YInNi | ICSD | 59455 | P-62m (189) | ✗ | 9 | 102 | 3 | 0.0 | 0.000 | 0.885 | ? | ✗ | 06/10/16 |
YInPd | ICSD | 640260 | P-62m (189) | ✗ | 9 | 102 | 3 | 0.0 | 0.005 | 0.839 | ? | ✗ | 06/10/16 |
ScInPt | ICSD | 411459 | P-62m (189) | ✗ | 9 | 102 | 3 | 0.0 | 0.000 | 0.673 | ? | ✗ | 06/10/16 |
YInPt | ICSD | 415509 | P-62m (189) | ✗ | 9 | 102 | 3 | 0.0 | 0.022 | 0.879 | ? | ✗ | 06/10/16 |
YInPt | ICSD | 59504 | P-62m (189) | ✗ | 9 | 102 | 3 | 0.0 | 0.000 | 0.856 | ? | ✗ | 06/10/16 |
Hf2CuGe4 | ICSD | 30733 | Cmcm (63) | ✔ | 14 | 102 | 3 | 0.0 | 0.000 | 0.826 | (0;000) | ✗ | 02/02/17 |
CuSe | COD | 9000063 | P6_3/mmc (194) | ✔ | 12 | 102 | 3 | 0.0 | 0.000 | 0.949 | (1;001) | ✗ | 02/02/17 |
K2FeH4(SO5)2 | ICSD | 87958 | P-1 (2) | ✔ | 19 | 102 | 2 | 0.6694 | 0.669 | 0.000 | (0;000) | ✗ | 02/02/17 |
CuS | COD | 1010920 | P6_3/mmc (194) | ✔ | 12 | 102 | 3 | 0.0 | 0.000 | 0.845 | (0;000) | ✗ | 02/02/17 |
NaZr2FeF11 | COD | 2004076 | C2/m (12) | ✔ | 15 | 102 | 3 | 0.7069 | 0.731 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cr3AsC | ICSD | 609880 | Cmcm (63) | ✔ | 10 | 102 | 3 | 0.0 | 0.000 | 0.980 | (0;001) | ✗ | 27/01/17 |
TlCoCl3 | ICSD | 155189 | P6_3/mmc (194) | ✔ | 10 | 102 | 1 | 0.0 | 0.000 | 0.592 | (0;000) | ✗ | 02/02/17 |
K4(NiO2)3 | ICSD | 426450 | C2/m (12) | ✔ | 13 | 102 | 3 | 0.0 | 0.043 | 0.054 | (0;000) | ✗ | 02/02/17 |
K4P3 | ICSD | 64625 | Cmcm (63) | ✔ | 14 | 102 | 1 | 0.0 | 0.000 | 0.967 | (1;000) | ✗ | 02/02/17 |
ZrTe2Br5 | ICSD | 69975 | C2/m (12) | ✔ | 16 | 102 | 2 | 1.0371 | 1.115 | 0.000 | (0;000) | ✗ | 02/02/17 |
YTlPd | ICSD | 105732 | P-62m (189) | ✗ | 9 | 102 | 3 | 0.0 | 0.000 | 0.861 | ? | ✗ | 06/10/16 |
Ca3Mn2O7 | COD | 1533328 | I4/mmm (139) | ✔ | 12 | 102 | 3 | 0.0 | 0.007 | 0.968 | (0;000) | ✗ | 21/03/17 |
Zr5Sb3Ru | ICSD | 650598 | P6_3/mcm (193) | ✔ | 18 | 102 | 3 | 0.0 | 0.000 | 0.652 | (0;000) | ✗ | 02/02/17 |
ZrAlPt | ICSD | 156266 | P-62c (190) | ✗ | 18 | 102 | 3 | 0.0 | 0.000 | 0.608 | ? | ✗ | 16/03/17 |
TiP | ICSD | 24148 | P6_3/mcm (193) | ✔ | 12 | 102 | 3 | 0.0 | 0.000 | 0.880 | (0;000) | ✗ | 02/02/17 |
AgC2N3 | ICSD | 843 | P3_121 (152) | ✗ | 18 | 102 | 3 | 3.4019 | 3.423 | 0.000 | (0;000) | ✗ | 21/03/17 |
LiBF4 | COD | 1505727 | P3_121 (152) | ✗ | 18 | 102 | 3 | 8.4755 | 8.515 | 0.000 | (0;000) | ✗ | 21/03/17 |
TlPt2Se3 | ICSD | 78785 | P-3m1 (164) | ✔ | 12 | 102 | 3 | 0.0 | 0.447 | 0.035 | (0;000) | ✗ | 02/02/17 |
TlTe3Pt2 | ICSD | 78787 | P-3m1 (164) | ✔ | 12 | 102 | 3 | 0.0 | 0.261 | 0.145 | (0;000) | ✗ | 02/02/17 |
NaLiCO3 | COD | 1010872 | P-6m2 (187) | ✗ | 18 | 102 | 3 | 0.0 | 0.001 | 0.657 | ? | ✗ | 15/02/17 |
TaNi2Te3 | ICSD | 82605 | P2_1/m (11) | ✔ | 12 | 102 | 3 | 0.0 | 0.000 | 0.972 | (1;010) | ✗ | 02/02/17 |
NO2 | COD | 2104473 | Im3 (204) | ✔ | 18 | 102 | 1 | 2.8252 | 2.825 | 0.000 | (0;000) | ✗ | 02/02/17 |
NO2 | COD | 1010516 | I2_13 (199) | ✗ | 18 | 102 | 3 | 0.0 | 0.000 | 0.859 | ? | ✗ | 29/03/17 |
Sr3Co2(ClO2)2 | ICSD | 251170 | I4/mmm (139) | ✔ | 11 | 102 | 1 | 0.0 | 0.003 | 0.862 | (0;000) | ✗ | 22/03/17 |
CaAlSi | ICSD | 155193 | P6_3mc (186) | ✗ | 18 | 102 | 1 | 0.0 | 0.000 | 0.959 | ? | ✗ | 16/03/17 |
NO2 | ICSD | 52347 | Im3 (204) | ✔ | 18 | 102 | 1 | 2.3492 | 2.349 | 0.000 | (0;000) | ✗ | 02/02/17 |
Sr3Mn2O7 | ICSD | 51217 | I4/mmm (139) | ✔ | 12 | 102 | 2 | 0.0 | 0.010 | 0.985 | (0;111) | ✗ | 29/03/17 |
LiTi2O4 | ICSD | 180011 | C2/m (12) | ✔ | 14 | 102 | 3 | 0.0 | 0.003 | 0.478 | (1;001) | ✗ | 29/03/17 |
TlPt2S3 | ICSD | 78784 | P-3m1 (164) | ✔ | 12 | 102 | 2 | 0.7331 | 0.783 | 0.000 | (0;000) | ✗ | 02/02/17 |
Cr2AgBiO8 | ICSD | 8224 | I-4 (82) | ✗ | 12 | 102 | 3 | 1.1891 | 1.204 | 0.000 | (0;000) | ✗ | 15/02/17 |
Cr3GeN | ICSD | 189872 | P-42_1m (113) | ✗ | 10 | 102 | 3 | 0.0 | 0.000 | 0.910 | ? | ✗ | 15/02/17 |
LiSn | ICSD | 107516 | I4_1/amd (141) | ✔ | 12 | 102 | 3 | 0.0 | 0.000 | 0.856 | (1;111) | ✗ | 29/03/17 |
Sr3Ru2O7 | COD | 2002466 | I4/mmm (139) | ✔ | 12 | 104 | 2 | 0.0 | 0.001 | 0.964 | (0;000) | ✗ | 29/03/17 |
Zn3Ru | COD | 7007706 | I4/mmm (139) | ✔ | 8 | 104 | 3 | 0.0 | 0.006 | 0.707 | (0;111) | ✗ | 29/03/17 |
YNiP | ICSD | 189498 | P6_3/mmc (194) | ✔ | 12 | 104 | 3 | 0.0 | 0.003 | 0.547 | (1;000) | ✗ | 02/02/17 |
AsBr3 | COD | 1010147 | P2_12_12_1 (19) | ✗ | 16 | 104 | 1 | 2.8654 | 2.924 | 0.000 | (0;000) | ✗ | 21/03/17 |
SrCaB5H2ClO10 | ICSD | 91540 | P1 (1) | ✗ | 20 | 104 | 3 | 4.8485 | 5.036 | 0.000 | (0;000) | ✗ | 21/03/17 |
V4GeSe8 | ICSD | 50503 | F-43m (216) | ✗ | 13 | 104 | 3 | 0.0 | 0.010 | 0.181 | (0;000) | ✔ | 28/03/17 |
Ca2B5H2ClO10 | COD | 2009683 | P1 (1) | ✗ | 20 | 104 | 3 | 5.2078 | 5.348 | 0.000 | (0;000) | ✗ | 21/03/17 |
P2CS2(OF)2 | COD | 2001345 | P2 (3) | ✗ | 18 | 104 | 1 | 3.9644 | 4.085 | 0.000 | (0;000) | ✗ | 22/03/17 |
MnPH2O5 | COD | 9012515 | C2/c (15) | ✔ | 18 | 104 | 3 | 0.0 | 0.015 | 0.579 | (0;000) | ✗ | 28/03/17 |
Si2Cu4NiS7 | ICSD | 100778 | C2 (5) | ✗ | 14 | 104 | 3 | 0.0 | 0.026 | 0.409 | ? | ✗ | 22/03/17 |
Cu4NiGe2S7 | ICSD | 627755 | C2 (5) | ✗ | 14 | 104 | 3 | 0.0 | 0.023 | 0.478 | ? | ✗ | 22/03/17 |
AlAgO2 | COD | 1509215 | Pna2_1 (33) | ✗ | 16 | 104 | 3 | 0.784 | 0.922 | 0.000 | (0;000) | ✗ | 16/03/17 |
LiAl(PS3)2 | ICSD | 425979 | C2/c (15) | ✔ | 20 | 104 | 2 | 2.6621 | 2.809 | 0.000 | (0;000) | ✗ | 16/03/17 |
AlP2 | ICSD | 28672 | Ia3 (206) | ✔ | 24 | 104 | 3 | 0.0 | 0.001 | 0.662 | (1;000) | ✗ | 04/08/17 |
Li2TiGeO5 | ICSD | 250297 | P4/nmm (129) | ✔ | 18 | 104 | 2 | 3.6252 | 3.899 | 0.000 | (0;000) | ✗ | 04/08/17 |
SCl | ICSD | 37016 | Fdd2 (43) | ✗ | 16 | 104 | 1 | 2.6979 | 2.765 | 0.000 | (0;000) | ✗ | 22/03/17 |
SrCdBi2 | ICSD | 58764 | I4/mmm (139) | ✔ | 8 | 104 | 1 | 0.0 | 0.028 | 0.146 | (0;000) | ✗ | 21/03/17 |
Li2TiSiO5 | ICSD | 87596 | P4/nmm (129) | ✔ | 18 | 104 | 2 | 3.363 | 3.614 | 0.000 | (0;000) | ✗ | 04/08/17 |