MatHub-3d

Formula Gap (eV) Free Energy (eV) Space group type Space group Comment Calculation progress
La1Mg1 0 -6.511 'Pm-3m' 221 MatHub3d-57944-La1Mg1 Band
Co2P2Sr1 0 -22.342 'I4/mmm' 139 MatHub3d-32269-Co2P2Sr1 Band
La1Mg3 0 -9.813 'Fm-3m' 225 MatHub3d-57950-La1Mg3 Band
La4Mg34 0 -73.286 'P6_3/mmc' 194 MatHub3d-58275-La4Mg34 Band
Fe2P2Sr1 0 -23.266 'I4/mmm' 139 MatHub3d-46679-Fe2P2Sr1 Band
La2Mn2Si4 0 -48.927 'Cmcm' 63 MatHub3d-58069-La2Mn2Si4 Band
La2Ni4 0 -19.648 'Fd-3m' 227 MatHub3d-58129-La2Ni4 Band
Ba1Fe2P2 0 -26.110 'I4/mmm' 139 MatHub3d-12018-Ba1Fe2P2 Band
La14Ni6 0 -83.502 'P6_3mc' 186 MatHub3d-58651-La14Ni6 Band
La7Ni16 0 -75.645 'I-42m' 121 MatHub3d-58509-La7Ni16 Band
La2Os4 0 -41.798 'Fd-3m' 227 MatHub3d-58169-La2Os4 Band
La1Pb3 0 -17.077 'Pm-3m' 221 MatHub3d-58004-La1Pb3 Band
La1Pd3 0 -17.586 'Pm-3m' 221 MatHub3d-58007-La1Pd3 Band
La1Pd5 0 -24.307 'P6/mmm' 191 MatHub3d-58008-La1Pd5 Band
La3Pd3Tl3 0 -36.443 'P-62m' 189 MatHub3d-58241-La3Pd3Tl3 Band
Cl18P2V2 1.502 -76.650 'Cmme' 67 MatHub3d-30608-Cl18P2V2 Transport
Cl6I2N2V2 1.412 -51.025 'P-1' 2 MatHub3d-29614-Cl6I2N2V2 Transport
La2Pt4 0 -31.022 'Fd-3m' 227 MatHub3d-58180-La2Pt4 Band
La1Pt3 0 -19.658 'Pm-3m' 221 MatHub3d-58011-La1Pt3 Band
La1Pt5 0 -28.750 'P6/mmm' 191 MatHub3d-58012-La1Pt5 Band
La2Rh4 0 -29.132 'Fd-3m' 227 MatHub3d-58182-La2Rh4 Band
La4Rh6Sn10 0 -97.487 'Ibam' 72 MatHub3d-58418-La4Rh6Sn10 Band
O20Se8 2.885 -141.634 'P2_1/c' 14 MatHub3d-69734-O20Se8 Transport
La2Ru4 0 -32.636 'Fd-3m' 227 MatHub3d-58186-La2Ru4 Band
La3Sn1 0 -19.807 'Pm-3m' 221 MatHub3d-58248-La3Sn1 Band