MatHub-3d

Formula Gap (eV) Free Energy (eV) Space group type Space group Comment Calculation progress
Li23Sr6 0 -53.728 'Fm-3m' 225 MatHub3d-62096-Li23Sr6 Band
Li16O32W8 4.071 -398.112 'I4_1/amd' 141 MatHub3d-61994-Li16O32W8 Transport
Li1Tl1 0 -4.593 'Pm-3m' 221 MatHub3d-59024-Li1Tl1 Band
Li2Zn2 0 -5.174 'Fd-3m' 227 MatHub3d-59705-Li2Zn2 Band
Al40Cr4Er2 0 -189.508 'Fd-3m' 227 MatHub3d-4940-Al40Cr4Er2 Band
Lu1Mg1 0 -6.045 'Pm-3m' 221 MatHub3d-62194-Lu1Mg1 Band
Lu2Mn10 0 -53.063 'P6_3mc' 186 MatHub3d-62295-Lu2Mn10 Band
Lu2Ni4 0 -20.943 'Fd-3m' 227 MatHub3d-62309-Lu2Ni4 Band
Lu1Ni5 0 -18.218 'P6/mmm' 191 MatHub3d-62214-Lu1Ni5 Band
Lu1Ni2Sn1 0 -15.392 'Fm-3m' 225 MatHub3d-62212-Lu1Ni2Sn1 Band
Lu1Ni4Sn1 0 -20.267 'F-43m' 216 MatHub3d-62213-Lu1Ni4Sn1 Band
Lu2Ni1Sn6 0 -38.219 'Cmmm' 65 MatHub3d-62306-Lu2Ni1Sn6 Band
Bi2O8Re2 0 -83.816 'Cmcm' 63 MatHub3d-16023-Bi2O8Re2 Band
Lu12Ni4Sn2 0 -78.116 'Immm' 71 MatHub3d-62470-Lu12Ni4Sn2 Band
Lu1Pb2 0 -11.977 'I4/mmm' 139 MatHub3d-62231-Lu1Pb2 Band
Lu1Pb3 0 -15.838 'Pm-3m' 221 MatHub3d-62232-Lu1Pb3 Band
Lu1Pd1 0 -9.597 'Pm-3m' 221 MatHub3d-62233-Lu1Pd1 Band
Lu1Pd3 0 -18.189 'Pm-3m' 221 MatHub3d-62241-Lu1Pd3 Band
Lu1Pd2Sn1 0 -18.664 'Fm-3m' 225 MatHub3d-62237-Lu1Pd2Sn1 Band
Lu1Po1 0 -8.904 'Fm-3m' 225 MatHub3d-62242-Lu1Po1 Band
Lu1Rh1 0 -10.611 'Pm-3m' 221 MatHub3d-62251-Lu1Rh1 Band
Lu2Rh4 0 -29.570 'Fd-3m' 227 MatHub3d-62346-Lu2Rh4 Band
Lu1Ru1 0 -11.292 'Pm-3m' 221 MatHub3d-62261-Lu1Ru1 Band
Lu1Tl3 0 -11.627 'Pm-3m' 221 MatHub3d-62287-Lu1Tl3 Band
Cl4Nb2Se4 1.129 -47.664 'P-1' 2 MatHub3d-29392-Cl4Nb2Se4 Transport