≤nAtoms≤
≤nElements≤
Space Group:
≤ Gap ≤
≤ Dir. Gap ≤
≤ Met. ≤
Formula
Composition
(ν0,ν1ν2ν3)
Source ID

13628 materials founds

▹ Formula ▹ Source ▴ ID ▹ space group ▹ centered ▹ nat ▹ ne ▹ dim ▹ gap ▹ dir. gap ▹ met. ▹ ν wcc ▹ updated
ZnH2SO5 COD 9009373 C2/c (15) ✔ 18 100 3 4.5755 4.576 0.000 (0;000) ✗ 27/01/17
MoPbO4 COD 9009404 I4_1/a (88) ✔ 12 104 3 2.6238 2.740 0.000 (0;000) ✗ 27/01/17
Y2Si2O7 COD 9009430 P2_1/m (11) ✔ 22 144 3 2.5668 2.624 0.000 (0;000) ✗ 04/08/17
CoHO2 COD 9009449 P6_3/mmc (194) ✔ 8 60 3 0.7607 0.923 0.000 (0;000) ✗ 27/01/17
Cu2H3ClO3 COD 9009464 P2_1/m (11) ✔ 18 100 2 0.0 0.024 0.386 (0;001) ✗ 27/01/17
HPbClO COD 9009482 C2/m (12) ✔ 8 56 1 2.6542 2.661 0.000 (0;000) ✗ 27/01/17
CuBiS2 COD 9009502 Pnma (62) ✔ 16 152 3 0.3737 0.450 0.000 (0;000) ✗ 02/02/17
CuSbS2 COD 9009503 Pnma (62) ✔ 16 112 3 0.7769 0.819 0.000 (0;000) ✗ 02/02/17
CrPbO4 COD 9009515 Pnma (62) ✔ 24 208 3 2.2197 2.237 0.000 (0;000) ✗ 04/08/17
Fe2GeO4 COD 9009520 Fd-3m (227) ✔ 14 88 3 0.0 0.006 0.294 (0;000) ✗ 27/01/17
Zn2PHO5 COD 9009553 P-1 (2) ✔ 18 120 3 3.4318 3.541 0.000 (0;000) ✗ 27/01/17
Mg3B(OF)3 COD 9009572 P6_3/m (176) ✔ 20 144 3 5.6931 5.716 0.000 (0;000) ✗ 02/02/17
PbSO3 COD 9009622 P2_1/m (11) ✔ 10 76 3 2.8374 2.837 0.000 (0;000) ✗ 27/01/17
CaWO4 COD 9009628 I4_1/a (88) ✔ 12 124 1 3.949 3.949 0.000 (0;000) ✗ 11/04/17
CaMoO4 COD 9009638 I4_1/a (88) ✔ 12 96 1 3.4169 3.417 0.000 (0;000) ✗ 27/01/17
K2CO3 COD 9009645 P2_1/c (14) ✔ 24 160 1 3.9261 3.926 0.000 (0;000) ✗ 04/08/17
Al2O3 COD 9009681 R-3c (167) ✔ 10 48 3 6.3488 6.349 0.000 (0;000) ✗ 05/01/17
Co2CuS4 COD 9009688 Fd-3m (227) ✔ 14 138 3 0.0 0.000 0.886 (0;000) ✗ 02/02/17
Cu2SO5 COD 9009694 C2/m (12) ✔ 16 116 3 0.0 0.068 0.073 (0;000) ✗ 27/01/17
Ag2HgS2 COD 9009717 P2_1/c (14) ✔ 10 92 3 0.5114 0.511 0.000 (0;000) ✗ 30/01/17
KAlSiO6 COD 9009725 P6_3 (173) ✗ 18 104 3 0.0 0.041 0.008 (0;000) ✔ 15/02/17
KBr COD 9009734 Fm-3m (225) ✔ 2 16 1 4.2926 4.293 0.000 (0;000) ✗ 27/01/17
KI COD 9009735 Fm-3m (225) ✔ 2 16 1 3.6596 3.660 0.000 (0;000) ✗ 30/01/17
RbI COD 9009738 Fm-3m (225) ✔ 2 16 1 3.5916 3.592 0.000 (0;000) ✗ 30/01/17
CsBr COD 9009744 Fm-3m (225) ✔ 2 16 3 0.0 0.014 0.590 (1;000) ✗ 27/01/17
Sb2O3 COD 9009748 Pccn (56) ✔ 20 112 3 0.0 2.096 1.000 (0;000) ✗ 02/02/17
YVO4 COD 9009764 I4_1/amd (141) ✔ 12 96 3 2.9575 2.958 0.000 (0;000) ✗ 27/01/17
BiO2 COD 9009765 C2/c (15) ✔ 12 108 3 1.529 1.615 0.000 (0;000) ✗ 05/01/17
MnHO2 COD 9009773 Pnma (62) ✔ 16 112 3 0.0 0.030 0.465 (0;000) ✗ 27/01/17
TaSbO4 COD 9009788 Pnna (52) ✔ 24 168 3 0.0 1.883 1.000 (0;000) ✗ 04/08/17
CoTe2 COD 9009790 Pnnm (58) ✔ 6 58 3 0.0 0.000 0.790 (0;000) ✗ 27/01/17
FeTe2 COD 9009791 Pnnm (58) ✔ 6 40 3 0.0 0.541 0.063 (0;000) ✗ 27/01/17
AsPO4 COD 9009805 Pnma (62) ✔ 24 136 3 4.9731 5.116 0.000 (0;000) ✗ 04/08/17
PbWO4 COD 9009815 I4_1/a (88) ✔ 12 132 3 3.1278 3.239 0.000 (0;000) ✗ 07/08/17
Pd16S7 COD 9009819 I-43m (217) ✗ 23 330 3 0.0 0.000 0.651 ? ✗ 07/08/17
Sn3Pd COD 9009821 Pm-3m (221) ✔ 4 60 3 0.0 0.005 0.622 (0;000) ✗ 27/01/17
CuSO4 COD 9009830 Pnma (62) ✔ 24 164 3 0.0 0.000 0.272 (0;101) ✗ 04/08/17
ZnSO4 COD 9009831 Pnma (62) ✔ 24 168 3 4.1427 4.192 0.000 (0;000) ✗ 04/08/17
K6HgS4 COD 9009861 P6_3mc (186) ✗ 22 180 1 1.7141 1.715 0.000 (0;000) ✗ 07/08/17
Ni3S4 COD 9009863 Fd-3m (227) ✔ 14 108 3 0.0 0.198 0.596 (0;000) ✗ 02/02/17
LiAlO2 COD 9009880 R-3m (166) ✔ 4 18 2 6.4953 6.634 0.000 (0;000) ✗ 05/01/17
CoHO2 COD 9009884 R-3m (166) ✔ 4 30 3 1.0064 1.165 0.000 (0;000) ✗ 27/01/17
Hg2ClO COD 9009904 C2/c (15) ✔ 16 148 3 1.8283 1.933 0.000 (0;000) ✗ 02/02/17
Cr3C2 COD 9009906 Pnma (62) ✔ 20 200 3 0.0 0.003 0.794 (0;000) ✗ 21/03/17
As2Ir COD 9009907 P2_1/c (14) ✔ 12 108 3 0.92 0.945 0.000 (0;000) ✗ 30/01/17
SbRh COD 9009911 Pnma (62) ✔ 8 88 3 0.0 0.054 0.328 (0;000) ✗ 27/01/17
ZrO2 COD 9009919 Pca2_1 (29) ✗ 12 64 3 3.5103 3.622 0.000 (0;000) ✗ 15/02/17
Cu(IrS2)2 COD 9009941 Fd-3m (227) ✔ 14 138 3 0.0 0.000 0.749 (0;000) ✗ 02/02/17
Ca2Ta2O7 COD 9009944 Fd-3m (227) ✔ 22 176 3 1.9414 1.941 0.000 (0;000) ✗ 07/08/17
Nb2Cd2O7 COD 9009945 Fd-3m (227) ✔ 22 184 3 1.8211 2.269 0.000 (0;000) ✗ 07/08/17
Ta2Cd2O7 COD 9009946 Fd-3m (227) ✔ 22 184 3 1.9246 2.334 0.000 (0;000) ✗ 07/08/17
Ag3AsS3 COD 9009991 R3c (161) ✗ 14 112 3 1.0119 1.589 0.000 (0;000) ✗ 16/03/17
SbPbClO2 COD 9010005 Cmcm (63) ✔ 10 76 1 0.0 1.773 1.000 (0;000) ✗ 27/01/17
FeS2 COD 9010011 Pa3 (205) ✔ 12 80 3 0.0 0.000 0.299 (1;000) ✗ 27/01/17
FeNi COD 9010017 P4/mmm (123) ✔ 2 18 3 0.0 0.002 0.583 (1;001) ✗ 27/01/17
NaMgF3 COD 9010120 Cmcm (63) ✔ 10 80 3 9.6622 9.662 0.000 (0;000) ✗ 27/01/17
SiC COD 9010158 P6_3mc (186) ✗ 12 48 3 2.0119 3.126 0.000 (0;000) ✗ 15/02/17
NaGa(SiO3)2 COD 9010189 C2/c (15) ✔ 20 132 3 4.6378 4.734 0.000 (0;000) ✗ 02/02/17
BaSiO3 COD 9010192 R-3m (166) ✔ 15 96 3 3.4421 3.543 0.000 (0;000) ✗ 05/01/17
KHCO3 COD 9010242 P-1 (2) ✔ 12 64 1 5.7378 5.871 0.000 (0;000) ✗ 27/01/17
KCO3 COD 9010292 P2_1/c (14) ✔ 20 124 1 0.4508 0.493 0.000 (0;000) ✗ 02/02/17
CaIrO3 COD 9010366 Cmcm (63) ✔ 10 90 2 0.0 0.000 0.401 (0;000) ✗ 27/01/17
NaAl(SiO3)2 COD 9010377 C2/c (15) ✔ 20 112 3 5.953 5.965 0.000 (0;000) ✗ 05/01/17
MgGeO3 COD 9010456 Cmcm (63) ✔ 10 64 3 5.8122 5.858 0.000 (0;000) ✗ 27/01/17
Mg2GeO4 COD 9010486 Fd-3m (227) ✔ 14 96 3 3.5003 3.500 0.000 (0;000) ✗ 27/01/17
MgTiO3 COD 9010587 R-3 (148) ✔ 10 80 3 3.7492 3.814 0.000 (0;000) ✗ 04/08/17
K2SiF6 COD 9010636 P6_3mc (186) ✗ 18 128 1 7.5399 7.540 0.000 (0;000) ✗ 22/03/17
AlHO2 COD 9010883 Pnma (62) ✔ 16 64 3 6.0478 6.048 0.000 (0;000) ✗ 05/01/17
KCO3 COD 9010971 P2_1/c (14) ✔ 20 124 1 0.5021 0.560 0.000 (0;000) ✗ 02/02/17
SO3 COD 9010982 P2_1/c (14) ✔ 16 96 1 5.8568 5.878 0.000 (0;000) ✗ 02/02/17
Y COD 9010984 P6_3/mmc (194) ✔ 2 22 3 0.0 0.000 0.918 (0;000) ✗ 27/01/17
Li COD 9011003 P6_3/mmc (194) ✔ 2 6 1 0.0 0.000 0.710 (0;000) ✗ 27/01/17
AgBiSe2 COD 9011022 R-3m (166) ✔ 4 38 3 0.0 0.452 0.027 (0;000) ✗ 05/01/17
AgBiS2 COD 9011024 R-3m (166) ✔ 4 38 3 0.198 0.737 0.000 (0;000) ✗ 30/01/17
Si COD 9011056 Ia3 (206) ✔ 8 32 3 0.0 0.000 0.092 (1;111) ✗ 27/01/17
Ge COD 9011057 P4_32_12 (96) ✗ 12 48 3 0.4676 0.468 0.000 (0;000) ✔ 22/03/17
KClO4 COD 9011079 Pnma (62) ✔ 24 160 1 6.1057 6.136 0.000 (0;000) ✗ 04/08/17
Hg3(SCl)2 COD 9011080 I2_13 (199) ✗ 14 124 3 2.0084 2.031 0.000 (0;000) ✗ 22/03/17
Ag3Sn COD 9011118 Pmmn (59) ✔ 8 94 3 0.0 0.000 0.926 (0;000) ✗ 05/01/17
Ga COD 9011120 Cmcm (63) ✔ 20 260 3 0.0 0.009 0.865 (1;000) ✗ 02/02/17
NaSc(SiO3)2 COD 9011146 C2/c (15) ✔ 20 128 3 5.1211 5.277 0.000 (0;000) ✗ 02/02/17
CaClF COD 9011173 P4/nmm (129) ✔ 6 48 1 5.6094 5.609 0.000 (0;000) ✗ 27/01/17
BaBrF COD 9011174 P4/nmm (129) ✔ 6 48 1 4.6989 4.699 0.000 (0;000) ✗ 05/01/17
BaIF COD 9011175 P4/nmm (129) ✔ 6 48 1 3.635 3.635 0.000 (0;000) ✗ 30/01/17
AlBO3 COD 9011182 R-3c (167) ✔ 10 48 3 5.9642 6.081 0.000 (0;000) ✗ 05/01/17
Na2TiSiO5 COD 9011189 P4/nmm (129) ✔ 18 128 2 3.217 3.424 0.000 (0;000) ✗ 02/02/17
TiPbO3 COD 9011193 Pm-3m (221) ✔ 5 44 3 1.6718 1.692 0.000 (0;000) ✗ 27/01/17
Mn COD 9011197 P4_132 (213) ✗ 20 300 3 0.0 0.000 0.731 ? ✗ 29/03/17
Bi4Te3 COD 9011203 R-3m (166) ✔ 7 78 3 0.0 0.012 0.112 (0;111) ✗ 02/02/17
Sb2O5 COD 9011205 C2/c (15) ✔ 14 80 3 0.9086 0.925 0.000 (0;000) ✗ 27/01/17
Hg(BiS2)2 COD 9011213 C2/m (12) ✔ 14 132 3 0.756 0.765 0.000 (0;000) ✗ 02/02/17
SbAsO4 COD 9011214 P2_1/m (11) ✔ 12 68 2 0.0 3.878 1.000 (0;000) ✗ 05/01/17
PbO2 COD 9011216 P4_2/mnm (136) ✔ 6 52 3 0.0 0.025 0.003 (0;000) ✗ 27/01/17
BiAsO4 COD 9011234 P2_1/c (14) ✔ 24 176 3 3.0064 3.123 0.000 (0;000) ✗ 04/08/17
NaVO3 COD 9011241 Pnma (62) ✔ 20 160 1 2.8739 2.938 0.000 (0;000) ✗ 02/02/17
Cd2As3I COD 9011252 C2/c (15) ✔ 12 92 3 0.8572 1.134 0.000 (0;000) ✗ 30/01/17
K2PdCl6 COD 9011293 Fm-3m (225) ✔ 9 78 1 1.8218 1.946 0.000 (0;000) ✗ 27/01/17
CuSe2 COD 9011302 Pa3 (205) ✔ 12 92 3 0.0 0.000 0.729 (0;111) ✗ 02/02/17
Na2CO3 COD 9011304 C2/m (12) ✔ 12 80 1 3.9041 3.923 0.000 (0;000) ✗ 27/01/17
Pb2SO5 COD 9011421 C2/m (12) ✔ 16 128 3 2.9251 3.025 0.000 (0;000) ✗ 02/02/17