MatHub-3d

Formula Gap (eV) Free Energy (eV) Space group type Space group Comment Calculation progress
Ac1 0 -4.048 'Fm-3m' 225 MatHub3d-1-Ac1 Band
Ac1Ag1 0 -5.312 'Pm-3m' 221 MatHub3d-2-Ac1Ag1 Band
Ac1Ag1Au2 0 -9.642 'Fm-3m' 225 MatHub3d-3-Ac1Ag1Au2 Band
Ac1Ag1Te2 0.082 -14.807 'Fm-3m' 225 MatHub3d-4-Ac1Ag1Te2 Band
Ac1Ag2Cd1 0 -6.920 'Fm-3m' 225 MatHub3d-5-Ac1Ag2Cd1 Band
Ac1Ag2Sn1 0 -10.982 'Fm-3m' 225 MatHub3d-6-Ac1Ag2Sn1 Band
Ac1Ag2Tl1 0 -8.903 'Fm-3m' 225 MatHub3d-7-Ac1Ag2Tl1 Band
Ac1Au2Bi1 0 -13.053 'Fm-3m' 225 MatHub3d-8-Ac1Au2Bi1 Band
Ac1Au2Hg1 0 -9.083 'Fm-3m' 225 MatHub3d-9-Ac1Au2Hg1 Band
Ac1Au2In1 0 -15.719 'Fm-3m' 225 MatHub3d-10-Ac1Au2In1 Band
Ac1Au2Na1 0 -10.213 'Fm-3m' 225 MatHub3d-11-Ac1Au2Na1 Band
Ac1Au2Pb1 0 -12.569 'Fm-3m' 225 MatHub3d-12-Ac1Au2Pb1 Band
Ac1Au2Sb1 0 -13.359 'Fm-3m' 225 MatHub3d-13-Ac1Au2Sb1 Band
Ac1Au2Sn1 0 -13.028 'Fm-3m' 225 MatHub3d-14-Ac1Au2Sn1 Band
Ac1Au2Tl1 0 -11.057 'Fm-3m' 225 MatHub3d-15-Ac1Au2Tl1 Band
Ac1Au2Zn1 0 -8.956 'Fm-3m' 225 MatHub3d-16-Ac1Au2Zn1 Band
Ac1Ca1Hg2 0 -8.568 'Fm-3m' 225 MatHub3d-17-Ac1Ca1Hg2 Band
Ac1Ca1In2 0 -12.940 'Fm-3m' 225 MatHub3d-18-Ac1Ca1In2 Band
Ac1Ca1Zn2 0 -7.563 'Fm-3m' 225 MatHub3d-19-Ac1Ca1Zn2 Band
Ac1Cd1Hg2 0 -6.389 'Fm-3m' 225 MatHub3d-20-Ac1Cd1Hg2 Band
Ac1Cd1Rh2 0 -14.121 'Fm-3m' 225 MatHub3d-21-Ac1Cd1Rh2 Band
Ac1Cd2Mg1 0 -7.202 'Fm-3m' 225 MatHub3d-22-Ac1Cd2Mg1 Band
Ac1Cd2Yb1 0 -7.546 'Fm-3m' 225 MatHub3d-23-Ac1Cd2Yb1 Band
Ac1Cu1O3 0.031 -31.144 'Pm-3m' 221 MatHub3d-24-Ac1Cu1O3 Band
Ac1Dy3 0 -17.434 'I4/mmm' 139 MatHub3d-25-Ac1Dy3 Band