MatHub-3d

Formula Gap (eV) Free Energy (eV) Space group type Space group Comment Calculation progress
Ag3Pb3Tm3 0 -29.653 'P-62m' 189 MatHub3d-1073-Ag3Pb3Tm3 Band
Ag3Lu3Pb3 0 -29.234 'P-62m' 189 MatHub3d-1060-Ag3Lu3Pb3 Band
Cu2Pb2Sm2 0 -23.578 'P6_3mc' 186 MatHub3d-38760-Cu2Pb2Sm2 Band
Cu2Gd2Pb2 0 -23.463 'P6_3mc' 186 MatHub3d-38212-Cu2Gd2Pb2 Band
Cu2Pb2Tb2 0 -23.366 'P6_3mc' 186 MatHub3d-38761-Cu2Pb2Tb2 Band
Cu2Ho2Pb2 0 -23.157 'P6_3mc' 186 MatHub3d-38355-Cu2Ho2Pb2 Band
Cu2Er2Pb2 0 -23.052 'P6_3mc' 186 MatHub3d-38066-Cu2Er2Pb2 Band
Cu2Pb2Tm2 0 -22.933 'P6_3mc' 186 MatHub3d-38762-Cu2Pb2Tm2 Band
Cu2Lu2Pb2 0 -22.708 'P6_3mc' 186 MatHub3d-38553-Cu2Lu2Pb2 Band
Fe1O2 0.663 -18.042 'P-3m1' 164 MatHub3d-46001-Fe1O2 Transport
Ga3Pd7 0 -38.235 'C2/m' 12 MatHub3d-48933-Ga3Pd7 Band
Ga4Pd8 0 -46.388 'Pnma' 62 MatHub3d-49094-Ga4Pd8 Band
Ca4Li4N4 1.396 -56.604 'Pnma' 62 MatHub3d-25708-Ca4Li4N4 Transport
Ba1Sn5 0 -22.855 'P6/mmm' 191 MatHub3d-12223-Ba1Sn5 Band
Al2Mg1S4 1.933 -33.659 'R-3m' 166 MatHub3d-2809-Al2Mg1S4 Transport
Ga4Ta6 0 -75.078 'P4/mbm' 127 MatHub3d-49121-Ga4Ta6 Band
Cu2Hf10Sn6 0 -134.166 'P6_3/mcm' 193 MatHub3d-38343-Cu2Hf10Sn6 Band
Cu2Hf10Pb6 0 -126.715 'P6_3/mcm' 193 MatHub3d-38342-Cu2Hf10Pb6 Band
Cu4In2Yb4 0 -23.596 'P4/mbm' 127 MatHub3d-39294-Cu4In2Yb4 Band
B4Nb6 0 -83.326 'P4/mbm' 127 MatHub3d-9752-B4Nb6 Band
B4Ta6 0 -93.540 'P4/mbm' 127 MatHub3d-9819-B4Ta6 Band
Ce4Cu4Mg2 0 -32.382 'P4/mbm' 127 MatHub3d-28158-Ce4Cu4Mg2 Band
Mg2Ni4Pr4 0 -34.214 'P4/mbm' 127 MatHub3d-62697-Mg2Ni4Pr4 Band
Mg2Nd4Ni4 0 -34.324 'P4/mbm' 127 MatHub3d-62692-Mg2Nd4Ni4 Band
Co4In2Zr4 0 -52.972 'P4/mbm' 127 MatHub3d-32841-Co4In2Zr4 Band