MatHub-3d

Formula Gap (eV) Free Energy (eV) Space group type Space group Comment Calculation progress
Cd4Na4O16P4 3.022 -164.053 'Pna2_1' 33 MatHub3d-27271-Cd4Na4O16P4 Band
Co8O16Si4 1.959 -187.515 'Imma' 74 MatHub3d-33708-Co8O16Si4 Transport
Ba4O20Si8 4.743 -243.731 'Pnma' 62 MatHub3d-13773-Ba4O20Si8 Transport
Be6H6He2Li1 0.103 -39.193 'P-3' 147 MatHub3d-15272-Be6H6He2Li1 Band
B6C2H14O2 4.150 -119.023 'P1' 1 MatHub3d-9868-B6C2H14O2 Transport
B4C4H20N8S4 3.964 -224.097 'Pnma' 62 MatHub3d-9263-B4C4H20N8S4 Transport
Cl10Sc7 0 -82.668 'C2/m' 12 MatHub3d-30154-Cl10Sc7 Band
C6Cs2Li1Mn1N6 0 -116.226 'Fm-3m' 225 MatHub3d-20911-C6Cs2Li1Mn1N6 Band
C6Co1Cs2Li1N6 5.149 -114.807 'Fm-3m' 225 MatHub3d-20860-C6Co1Cs2Li1N6 Band
In1Mo2O8Rb1 4.099 -83.595 'P-3m1' 164 MatHub3d-55493-In1Mo2O8Rb1 Transport
In2K2O16W4 4.483 -177.370 'P-3c1' 165 MatHub3d-55620-In2K2O16W4 Transport
Cd1La1 0 -5.685 'Pm-3m' 221 MatHub3d-26685-Cd1La1 Band
Cd2Li2 0 -5.412 'Fd-3m' 227 MatHub3d-27002-Cd2Li2 Band
Cd1Li2Pb1 0 -8.661 'F-43m' 216 MatHub3d-26691-Cd1Li2Pb1 Band
Cd1Li2Pb1 0 -8.778 'Fm-3m' 225 MatHub3d-26692-Cd1Li2Pb1 Band
Cd1Lu1 0 -5.311 'Pm-3m' 221 MatHub3d-26698-Cd1Lu1 Band
Cd6Lu2 0 -12.488 'Cmcm' 63 MatHub3d-27380-Cd6Lu2 Band
Cd2Mg2 0 -4.005 'Pmma' 51 MatHub3d-27016-Cd2Mg2 Band
Cd2Mg6 0 -10.192 'P6_3/mmc' 194 MatHub3d-27017-Cd2Mg6 Band
Cd6Mg2 0 -5.317 'P6_3/mmc' 194 MatHub3d-27381-Cd6Mg2 Band
F4O4Xe2 2.352 -21.799 'Cmcm' 63 MatHub3d-42870-F4O4Xe2 Transport
Cd1Na2Pb1 0 -7.133 'F-43m' 216 MatHub3d-26720-Cd1Na2Pb1 Band
Cd2Na4Sn2 0 -15.137 'P6_3/mmc' 194 MatHub3d-27034-Cd2Na4Sn2 Band
Cd3Nb1 0 -8.621 'Pm-3m' 221 MatHub3d-27137-Cd3Nb1 Band
Cd1Nd1 0 -5.640 'Pm-3m' 221 MatHub3d-26726-Cd1Nd1 Band