MatHub-3d

Formula Gap (eV) Free Energy (eV) Space group type Space group Comment Calculation progress
Fe4Np2 0 -36.084 'Fd-3m' 227 MatHub3d-47444-Fe4Np2 Band
H28N8O20V4 2.442 -333.558 'Pnma' 62 MatHub3d-53069-H28N8O20V4 Transport
Fe1Pd3 0 -15.860 'Pm-3m' 221 MatHub3d-46049-Fe1Pd3 Band
Fe3Pd1 0 -18.883 'Pm-3m' 221 MatHub3d-47014-Fe3Pd1 Band
Fe4Pr2 0 -28.793 'Fd-3m' 227 MatHub3d-47564-Fe4Pr2 Band
Fe3Pt1 0 -19.953 'Pm-3m' 221 MatHub3d-47015-Fe3Pt1 Band
Fe4Pt4Sb4 0 -56.609 'P2_13' 198 MatHub3d-47565-Fe4Pt4Sb4 Band
Fe4Pu2 0 -39.298 'Fd-3m' 227 MatHub3d-47566-Fe4Pu2 Band
Fe1Ru2Sn1 0 -21.507 'Fm-3m' 225 MatHub3d-46056-Fe1Ru2Sn1 Band
Fe4Sc2 0 -30.336 'Fd-3m' 227 MatHub3d-47584-Fe4Sc2 Band
Fe4Sn2 0 -27.247 'P6_3/mmc' 194 MatHub3d-47593-Fe4Sn2 Band
Fe3Sn1 0 -18.888 'Pm-3m' 221 MatHub3d-47023-Fe3Sn1 Band
Ga5Ir1U1 0 -34.898 'P4/mmm' 123 MatHub3d-49135-Ga5Ir1U1 Band
Fe2Sn1V1 0 -19.688 'Fm-3m' 225 MatHub3d-46738-Fe2Sn1V1 Band
Fe4Tb2 0 -28.899 'Fd-3m' 227 MatHub3d-47596-Fe4Tb2 Band
Fe9Th3 0 -65.922 'R-3m' 166 MatHub3d-48194-Fe9Th3 Band
Fe28Th8 0 -197.812 'P6_3/mmc' 194 MatHub3d-48546-Fe28Th8 Band
Fe17Th2 0 -98.879 'C2/m' 12 MatHub3d-48454-Fe17Th2 Band
Ga3Lu1 0 -14.944 'Pm-3m' 221 MatHub3d-48913-Ga3Lu1 Band
Br20N10P10 3.165 -183.581 'P-1' 2 MatHub3d-18403-Br20N10P10 Band
Fe4Tm2 0 -28.899 'Fd-3m' 227 MatHub3d-47600-Fe4Tm2 Band
Fe34Tm4 0 -187.963 'P6_3/mmc' 194 MatHub3d-48557-Fe34Tm4 Band
Fe2U12 0 -140.265 'I4/mcm' 140 MatHub3d-46747-Fe2U12 Band
Fe4U2 0 -39.606 'Fd-3m' 227 MatHub3d-47601-Fe4U2 Band
Fe1V1 0 -9.894 'Pm-3m' 221 MatHub3d-46094-Fe1V1 Band