≤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
Cs3CoCl5 COD 2011750 I4/mcm (140) ✔ 18 158 1 0.0 0.000 0.321 (0;111) ✗ 02/02/17
ZnCN2 COD 2011885 I-42d (122) ✗ 16 104 3 3.5423 3.901 0.000 (0;000) ✗ 22/03/17
RbSb COD 2011948 P2_1/c (14) ✔ 16 112 1 0.7509 0.763 0.000 (0;000) ✗ 02/02/17
Ba3Sb2O COD 2011977 Pbam (55) ✔ 24 184 1 0.3331 0.455 0.000 (0;000) ✗ 04/08/17
Li3SbO4 COD 2012121 P2/c (13) ✔ 16 76 1 3.4604 3.474 0.000 (0;000) ✗ 27/01/17
Cd(CO2)2 COD 2012182 P2_1/c (14) ✔ 14 88 3 3.3446 3.396 0.000 (0;000) ✗ 27/01/17
K3SbO4 COD 2012333 P2/c (13) ✔ 16 112 3 2.5564 2.613 0.000 (0;000) ✗ 27/01/17
Ca4IrO6 COD 2012343 R-3c (167) ✔ 22 186 2 0.0 0.001 0.269 (0;000) ✗ 07/08/17
CdBiClO2 COD 2012362 P2_1/m (11) ✔ 10 92 3 2.8582 3.016 0.000 (0;000) ✗ 05/01/17
CrHg(PbO3)2 COD 2012488 P-1 (2) ✔ 20 180 3 2.1127 2.113 0.000 (0;000) ✗ 02/02/17
CsH3O2 COD 2012559 I4_1/amd (141) ✔ 12 48 3 4.5945 4.737 0.000 (0;000) ✗ 22/03/17
MgB9N COD 2012796 R-3m (166) ✔ 22 84 3 1.6873 1.742 0.000 (0;000) ✗ 04/08/17
GeCl4 COD 2012797 P2_1/c (14) ✔ 20 128 1 4.342 4.405 0.000 (0;000) ✗ 02/02/17
H4C3N4 COD 2012828 P-1 (2) ✔ 22 72 1 2.1696 2.279 0.000 (0;000) ✗ 04/08/17
H3C5I2N COD 2012993 Fmm2 (42) ✗ 11 42 1 3.0403 3.220 0.000 (0;000) ✗ 15/02/17
Na2LiAlF6 COD 2013037 P2_1/c (14) ✔ 20 132 1 7.3657 7.366 0.000 (0;000) ✗ 30/01/17
H2CClF COD 2013049 P2_1 (4) ✗ 10 40 1 6.0043 6.037 0.000 (0;000) ✗ 15/02/17
Ca2MgWO6 COD 2013469 P2_1/c (14) ✔ 20 160 3 3.4238 3.484 0.000 (0;000) ✗ 02/02/17
MnSbSe2I COD 2013470 C2/m (12) ✔ 10 78 3 0.0 0.006 0.343 (1;111) ✗ 02/02/17
Y2Si2O7 COD 2013549 C2/m (12) ✔ 11 72 3 4.9676 4.968 0.000 (0;000) ✗ 27/01/17
BaTi2O5 COD 2013673 C2 (5) ✗ 24 192 3 2.2987 2.801 0.000 (0;000) ✗ 04/08/17
KP(HO)2 COD 2013920 C2/c (15) ✔ 12 56 1 5.351 5.351 0.000 (0;000) ✗ 27/01/17
LiP(HO)2 COD 2014097 C2/m (12) ✔ 12 44 1 5.3307 5.483 0.000 (0;000) ✗ 27/01/17
RbBO2 COD 2014187 R-3c (167) ✔ 24 144 1 4.0852 4.085 0.000 (0;000) ✗ 04/08/17
CaZn(SiO3)2 COD 2014614 C2/c (15) ✔ 20 132 3 4.3367 4.435 0.000 (0;000) ✗ 02/02/17
CaZn(GeO3)2 COD 2014615 C2/c (15) ✔ 20 132 3 2.8081 2.912 0.000 (0;000) ✗ 02/02/17
LiClO2 COD 2014617 P4_2/ncm (138) ✔ 16 88 1 2.6354 2.635 0.000 (0;000) ✗ 02/02/17
KClO2 COD 2014618 Cmcm (63) ✔ 8 56 1 2.279 3.000 0.000 (0;000) ✗ 27/01/17
LiAlGe COD 2014790 F-43m (216) ✗ 3 10 3 0.0 1.319 0.042 (0;000) ✔ 15/02/17
InAsH2O5 COD 2015029 P-1 (2) ✔ 18 100 3 2.7601 2.844 0.000 (0;000) ✗ 05/01/17
H6C2SeO COD 2015142 P-1 (2) ✔ 20 52 1 4.0465 4.129 0.000 (0;000) ✗ 02/02/17
NaCr2In(H2O5)2 COD 2015315 C2/m (12) ✔ 18 114 3 2.8092 2.828 0.000 (0;000) ✗ 02/02/17
H5C4N3 COD 2015716 P2_1 (4) ✗ 24 72 1 4.7935 4.813 0.000 (0;000) ✗ 04/08/17
BaB2F8 COD 2016138 C2/m (12) ✔ 11 72 1 8.347 8.354 0.000 (0;000) ✗ 05/01/17
BN COD 2016173 P6_3/mmc (194) ✔ 4 16 2 4.1848 4.579 0.000 (0;000) ✗ 27/01/17
H2C3S COD 2016192 P-1 (2) ✔ 24 80 1 0.0 0.081 0.158 (0;000) ✗ 04/08/17
NaI(OF)2 COD 2016692 Cmcm (63) ✔ 12 84 1 4.7043 4.786 0.000 (0;000) ✗ 22/03/17
NaCr(GeO3)2 COD 2016854 C2/c (15) ✔ 20 134 3 0.0 0.000 0.468 (1;011) ✗ 02/02/17
V2Te2O7F2 COD 2016941 P-1 (2) ✔ 13 94 2 0.0608 0.151 0.000 (0;000) ✗ 27/01/17
Mg(ScGa)2 COD 2016995 P4/mbm (127) ✔ 10 116 3 0.0 0.007 0.746 (0;001) ✗ 02/02/17
V2Ni(TeO5)2 COD 2017057 P-1 (2) ✔ 15 108 3 0.0 0.025 0.623 (0;000) ✗ 29/03/17
Ge(TeO3)2 COD 2017124 P2_1/c (14) ✔ 18 104 3 3.9301 4.065 0.000 (0;000) ✗ 02/02/17
Ca(InP)2 COD 2017323 P6_3/mmc (194) ✔ 10 92 2 0.5469 0.684 0.000 (0;000) ✗ 02/02/17
Sr(InP)2 COD 2017324 P6_3/mmc (194) ✔ 10 92 2 0.3909 0.391 0.000 (0;000) ✗ 02/02/17
Ba(InP)2 COD 2017325 P2_1/m (11) ✔ 20 184 1 0.3999 0.411 0.000 (0;000) ✗ 02/02/17
K3TaF8 COD 2017527 P6_3mc (186) ✗ 24 192 1 3.6455 3.650 0.000 (0;000) ✗ 04/08/17
Tl2CO3 COD 2017545 C2/m (12) ✔ 12 96 2 1.4491 2.153 0.000 (0;000) ✗ 27/01/17
Na3TaF8 COD 2017817 C2/c (15) ✔ 24 192 1 5.1794 5.221 0.000 (0;000) ✗ 04/08/17
Mg(ClO4)2 COD 2018117 P2_1/c (14) ✔ 22 144 3 6.019 6.019 0.000 (0;000) ✗ 04/08/17
ScTe COD 2018282 P6_3/mmc (194) ✔ 8 68 3 0.0 0.006 0.357 (0;000) ✗ 27/01/17
Y3Au2 COD 2018283 P4/mbm (127) ✔ 10 110 3 0.0 0.000 0.922 (0;001) ✗ 30/01/17
Y2Au COD 2018284 Pnma (62) ✔ 12 132 3 0.0 0.002 0.595 (0;011) ✗ 02/02/17
TlAuCl4 COD 2018865 C2/c (15) ✔ 12 104 1 1.7994 1.820 0.000 (0;000) ✗ 30/01/17
KAu2 COD 2018869 P6_3/mmc (194) ✔ 12 124 3 0.0 0.003 0.754 (0;000) ✗ 30/01/17
ScBO3 COD 2018876 R-3c (167) ✔ 10 64 3 4.2967 4.297 0.000 (0;000) ✗ 27/01/17
Rb2Cd5As4 COD 2018984 Cmcm (63) ✔ 22 196 3 0.0 0.026 0.013 (1;000) ✗ 07/08/17
Rb2Zn5Sb4 COD 2018985 Cmcm (63) ✔ 22 196 3 0.0 0.028 0.272 (0;000) ✗ 07/08/17
MgGaAu2 COD 2019456 P6_3/mmc (194) ✔ 8 90 3 0.0 0.000 0.830 (0;000) ✗ 05/01/17
NaYS2 COD 2019542 R-3m (166) ✔ 4 32 2 2.241 3.060 0.000 (0;000) ✗ 27/01/17
ZrF4 COD 2019609 P2_1/c (14) ✔ 20 128 3 5.2782 5.321 0.000 (0;000) ✗ 02/02/17
CaSnAu COD 2019618 Imm2 (44) ✗ 6 70 3 0.0 0.035 0.553 ? ✗ 15/02/17
SiBr3 COD 2019711 C2/m (12) ✔ 8 50 1 4.0947 4.095 0.000 (0;000) ✗ 02/02/17
SiI3 COD 2019712 R-3 (148) ✔ 8 50 1 2.7095 2.751 0.000 (0;000) ✗ 02/02/17
Li2B2C COD 2019750 P-4m2 (115) ✗ 10 32 2 0.0 0.000 0.456 ? ✗ 15/02/17
KScS2 COD 2020007 R-3m (166) ✔ 4 32 2 1.7182 2.440 0.000 (0;000) ✗ 27/01/17
RbScS2 COD 2020008 R-3m (166) ✔ 4 32 2 1.7063 2.455 0.000 (0;000) ✗ 27/01/17
Zr3Ir COD 2020030 I-42m (121) ✗ 16 116 3 0.0 0.005 0.664 ? ✗ 29/03/17
NaPt2 COD 2020042 Fd-3m (227) ✔ 6 58 3 0.0 0.000 0.684 (0;000) ✗ 27/01/17
Nb5GaSn2 COD 2020043 I4/mcm (140) ✔ 16 212 3 0.0 0.001 0.541 (1;000) ✗ 02/02/17
H2CCl2 COD 2100015 Pbcn (60) ✔ 20 80 1 5.0549 5.126 0.000 (0;000) ✗ 02/02/17
MnReO4 COD 2100243 P2/c (13) ✔ 12 108 3 0.0 0.020 0.091 (1;110) ✗ 27/01/17
CaCu(GeO3)2 COD 2100257 C2/c (15) ✔ 20 130 3 0.0 0.000 0.281 (0;010) ✗ 02/02/17
YS2NO6 COD 2100265 P2_1/c (14) ✔ 20 128 3 0.0 0.013 0.544 (1;000) ✗ 02/02/17
Sr2YTaO6 COD 2100266 P2_1/c (14) ✔ 20 160 3 3.9094 3.944 0.000 (0;000) ✗ 02/02/17
HC3Cl2 COD 2100447 P-1 (2) ✔ 24 108 1 3.4831 3.649 0.000 (0;000) ✗ 04/08/17
Sr2TaGaO6 COD 2100516 I4/m (87) ✔ 10 82 3 4.0011 4.001 0.000 (0;000) ✗ 27/01/17
BaBiO3 COD 2100569 P2_1/c (14) ✔ 20 172 3 0.0 1.096 0.032 (0;000) ✗ 02/02/17
Ba2BiSbO6 COD 2100575 Fm-3m (225) ✔ 10 76 3 1.6586 2.757 0.000 (0;000) ✗ 05/01/17
F2 COD 2100647 R-3c (167) ✔ 8 56 3 0.0 0.007 0.700 (0;000) ✗ 27/01/17
FeF3 COD 2100650 R-3c (167) ✔ 8 58 3 0.0 0.001 0.309 (0;000) ✗ 27/01/17
H4CN COD 2100665 P2_1/c (14) ✔ 24 52 1 4.7319 4.878 0.000 (0;000) ✗ 04/08/17
H4CN COD 2100668 P2_1/c (14) ✔ 24 52 1 4.4325 4.433 0.000 (0;000) ✗ 04/08/17
H4CN COD 2100671 P2_1/c (14) ✔ 24 52 1 4.4543 4.534 0.000 (0;000) ✗ 04/08/17
H2CBr2 COD 2100676 C2/c (15) ✔ 20 80 1 4.1172 4.203 0.000 (0;000) ✗ 02/02/17
ZrAl3 COD 2100751 I4/mmm (139) ✔ 8 26 3 0.0 0.005 0.764 (0;000) ✗ 05/01/17
Ba2YCu3O8 COD 2100804 P4/mmm (123) ✔ 14 112 3 0.0 0.006 0.979 (0;110) ✗ 05/01/17
Cs3H(SeO4)2 COD 2100808 C2/m (12) ✔ 14 88 1 4.4215 4.457 0.000 (0;000) ✗ 02/02/17
HC COD 2100841 Pa3 (205) ✔ 16 40 1 5.684 5.704 0.000 (0;000) ✗ 02/02/17
RbLiCrO4 COD 2100905 P31c (159) ✗ 14 100 1 3.1623 3.225 0.000 (0;000) ✗ 22/03/17
RbLiCrO4 COD 2100906 P6_3 (173) ✗ 14 100 1 3.3493 3.409 0.000 (0;000) ✗ 22/03/17
Mg3BN3 COD 2100976 Pmmm (47) ✔ 7 48 3 0.0 0.006 0.131 (1;000) ✗ 27/01/17
NiF2 COD 2100984 P4_2/mnm (136) ✔ 6 48 3 0.0 0.016 0.431 (0;000) ✗ 27/01/17
K3Na(SeO4)2 COD 2101023 P-3m1 (164) ✔ 14 96 1 4.281 4.343 0.000 (0;000) ✗ 02/02/17
Ca(HO)4 COD 2101033 P6/mmm (191) ✔ 9 38 1 0.0 0.002 0.764 (0;000) ✗ 27/01/17
W3O8 COD 2101049 C222 (21) ✗ 11 132 3 0.0 0.000 0.791 ? ✗ 11/04/17
K3NaCr2O8 COD 2101077 P-3m1 (164) ✔ 14 112 1 3.2103 3.214 0.000 (0;000) ✗ 02/02/17
Li2MoF6 COD 2101133 P4_22_12 (94) ✗ 18 124 1 0.0 0.004 0.142 (0;000) ✔ 11/04/17
Al5Fe COD 2101159 Cmcm (63) ✔ 12 46 3 0.0 0.000 0.724 (0;110) ✗ 05/01/17
Cu6Sn5 COD 2101211 C2/c (15) ✔ 22 272 3 0.0 0.011 0.696 (0;000) ✗ 07/08/17
NbTe2 COD 2101235 P4/m (83) ✔ 6 50 1 0.0 0.007 0.538 (1;001) ✗ 02/02/17