MatHub-3d

Formula Gap (eV) Free Energy (eV) Space group type Space group Comment Calculation progress
Ag1Ce5Se8 0 -71.991 'I-4' 82 MatHub3d-209-Ag1Ce5Se8 Band
Ag1Cl1 1.316 -3.764 'P4/mmm' 123 MatHub3d-210-Ag1Cl1 Transport
Ag1Cl1O4 3.645 -22.833 'I-42m' 121 MatHub3d-211-Ag1Cl1O4 Transport
Ag1Cl1O4 2.548 -22.112 'F-43m' 216 MatHub3d-212-Ag1Cl1O4 Transport
Ag1Co1O2 2.109 -17.955 'R-3m' 166 MatHub3d-213-Ag1Co1O2 Transport
Ag1Cr1O2 1.764 -23.811 'R-3m' 166 MatHub3d-214-Ag1Cr1O2 Transport
Ag1Cr1S2 0.944 -18.677 'R3m' 160 MatHub3d-215-Ag1Cr1S2 Transport
Ag1Cr1Se2 0.355 -17.025 'R3m' 160 MatHub3d-216-Ag1Cr1Se2 Transport
Ag1Cr1Ti1 0 -10.245 'F-43m' 216 MatHub3d-217-Ag1Cr1Ti1 Band
Ag1Cr3O8 1.721 -78.290 'C2/m' 12 MatHub3d-220-Ag1Cr3O8 Transport
Ag1Cs2F4 0 -24.391 'I4/mmm' 139 MatHub3d-221-Ag1Cs2F4 Band
Ag1Cu1O2 0.187 -14.794 'P-1' 2 MatHub3d-223-Ag1Cu1O2 Transport
Ag1Cu1Te2 0 -9.727 'Pmm2' 25 MatHub3d-224-Ag1Cu1Te2 Band
Ag1Cu2O10S2 0 -75.147 'C2/m' 12 MatHub3d-225-Ag1Cu2O10S2 Band
Ag1Cu2O10Se2 0 -67.745 'C2/m' 12 MatHub3d-226-Ag1Cu2O10Se2 Band
Ag1Cu4Sm1 0 -15.972 'F-43m' 216 MatHub3d-227-Ag1Cu4Sm1 Band
Ag1Dy1 0 -5.850 'Pm-3m' 221 MatHub3d-228-Ag1Dy1 Band
Ag1Dy1Hg2 0 -7.124 'Fm-3m' 225 MatHub3d-229-Ag1Dy1Hg2 Band
Ag1Dy2Ir1 0 -18.402 'Fm-3m' 225 MatHub3d-230-Ag1Dy2Ir1 Band
Ag1Dy2Os1 0 -19.332 'Fm-3m' 225 MatHub3d-231-Ag1Dy2Os1 Band
Ag1Dy2Ru1 0 -17.034 'Fm-3m' 225 MatHub3d-232-Ag1Dy2Ru1 Band
Ag1Dy2Tl1 0 -13.433 'Fm-3m' 225 MatHub3d-233-Ag1Dy2Tl1 Band
Ag1Dy5S8 2.014 -82.537 'I-4' 82 MatHub3d-234-Ag1Dy5S8 Transport
Ag1Er1 0 -5.818 'Pm-3m' 221 MatHub3d-235-Ag1Er1 Band
Ag1Er1Hg2 0 -7.007 'Fm-3m' 225 MatHub3d-236-Ag1Er1Hg2 Band