MatHub-3d

Formula Gap (eV) Free Energy (eV) Space group type Space group Comment Calculation progress
Ho2 0 -9.029 'P6_3/mmc' 194 MatHub3d-54511-Ho2 Band
Tm2 0 -8.955 'P6_3/mmc' 194 MatHub3d-73969-Tm2 Band
Co5Sm1 0 -21.745 'P6/mmm' 191 MatHub3d-33276-Co5Sm1 Band
Al4Ca2F12O4 0.589 -124.707 'C2/c' 15 MatHub3d-3263-Al4Ca2F12O4 Band
Co4Sn2 0 -21.866 'P6_3/mmc' 194 MatHub3d-33182-Co4Sn2 Band
Co2Sn1Ti1 0 -17.193 'Fm-3m' 225 MatHub3d-32310-Co2Sn1Ti1 Band
Co2Sn1V1 0 -17.597 'Fm-3m' 225 MatHub3d-32311-Co2Sn1V1 Band
Co3Sn3Zr3 0 -50.310 'P-62m' 189 MatHub3d-32649-Co3Sn3Zr3 Band
Co4Ta2 0 -33.404 'Fd-3m' 227 MatHub3d-33186-Co4Ta2 Band
Co5Tb1 0 -21.857 'P6/mmm' 191 MatHub3d-33277-Co5Tb1 Band
Ca2Cl2Cu1O2 0 -34.131 'I4/mmm' 139 MatHub3d-25012-Ca2Cl2Cu1O2 Band
Co6Th14 0 -124.331 'P6_3mc' 186 MatHub3d-33488-Co6Th14 Band
Co5Th1 0 -24.485 'P6/mmm' 191 MatHub3d-33278-Co5Th1 Band
Co2Ti4 0 -22.980 'Fd-3m' 227 MatHub3d-32324-Co2Ti4 Band
Co4Ti2 0 -24.087 'Fd-3m' 227 MatHub3d-33190-Co4Ti2 Band
Co4Tm2 0 -22.802 'Fd-3m' 227 MatHub3d-33191-Co4Tm2 Band
Co4U4 0 -56.603 'I2_13' 199 MatHub3d-33194-Co4U4 Band
Co4U2 0 -34.680 'Fd-3m' 227 MatHub3d-33192-Co4U2 Band
Co2V6 0 -43.112 'Pm-3n' 223 MatHub3d-32326-Co2V6 Band
Co7W6 0 -83.987 'R-3m' 166 MatHub3d-33525-Co7W6 Band
Co4Y2 0 -26.452 'Fd-3m' 227 MatHub3d-33195-Co4Y2 Band
Co4Yb2 0 -15.970 'Fd-3m' 227 MatHub3d-33199-Co4Yb2 Band
Co1Zn13 0 -8.403 'C2/m' 12 MatHub3d-31630-Co1Zn13 Band
Co1Zr1 0 -12.844 'Pm-3m' 221 MatHub3d-31631-Co1Zr1 Band
Co2Zr4 0 -40.688 'I4/mcm' 140 MatHub3d-32329-Co2Zr4 Band