MatHub-3d

Formula Gap (eV) Free Energy (eV) Space group type Space group Comment Calculation progress
Ga6Ni9Y3 0 -68.222 'P6/mmm' 191 MatHub3d-49180-Ga6Ni9Y3 Band
Ga24Ni24Zn8 0 -155.636 'Ia-3d' 230 MatHub3d-49453-Ga24Ni24Zn8 Band
Br4C20O20Re4 2.500 -363.016 'Pnma' 62 MatHub3d-17536-Br4C20O20Re4 Band
Ga5Ni8Zn36 0 -56.126 'P-43m' 215 MatHub3d-49140-Ga5Ni8Zn36 Band
Ga1Ni2Zr1 0 -18.354 'Fm-3m' 225 MatHub3d-48675-Ga1Ni2Zr1 Band
Ga8Pd20 0 -106.479 'Pnma' 62 MatHub3d-49281-Ga8Pd20 Band
Ga6Pd10 0 -61.440 'Pbam' 55 MatHub3d-49191-Ga6Pd10 Band
Ga10Pd2 0 -38.437 'I4/mcm' 140 MatHub3d-49319-Ga10Pd2 Band
Ga1Pd2Sc1 0 -17.964 'Fm-3m' 225 MatHub3d-48692-Ga1Pd2Sc1 Band
Mg1O6V2 2.773 -65.760 'C2/m' 12 MatHub3d-62535-Mg1O6V2 Transport
Ga12Pd1Y4 0 -73.754 'Im-3m' 229 MatHub3d-49358-Ga12Pd1Y4 Band
Ga4Pd7Zn3 0 -45.235 'R3' 146 MatHub3d-49093-Ga4Pd7Zn3 Band
Ga2Pr2 0 -17.395 'Cmcm' 63 MatHub3d-48859-Ga2Pr2 Band
Ga4Pr8 0 -53.615 'Pnma' 62 MatHub3d-49095-Ga4Pr8 Band
Ga1Pr3 0 -17.919 'Pm-3m' 221 MatHub3d-48697-Ga1Pr3 Band
Ga12Pr20 0 -142.476 'P4/ncc' 130 MatHub3d-49359-Ga12Pr20 Band
Ga8Pt16 0 -101.867 'Pmma' 51 MatHub3d-49282-Ga8Pt16 Band
Ga1Pt3 0 -16.729 'Pm-3m' 221 MatHub3d-48702-Ga1Pt3 Band
Ga2Pt6 0 -33.666 'I4/mcm' 140 MatHub3d-48862-Ga2Pt6 Band
Ga2Pt1 0 -11.695 'Fm-3m' 225 MatHub3d-48860-Ga2Pt1 Band
Ga3Pt2 0 -19.990 'P-3m1' 164 MatHub3d-48934-Ga3Pt2 Band
Ga3Pt5 0 -33.789 'Cmmm' 65 MatHub3d-48935-Ga3Pt5 Band
F16O4W4 2.792 -151.729 'C2/m' 12 MatHub3d-44790-F16O4W4 Transport
Ga4Pu4 0 -70.164 'I4/mmm' 139 MatHub3d-49099-Ga4Pu4 Band
Ga1Pu3 0 -45.281 'Pm-3m' 221 MatHub3d-48703-Ga1Pu3 Band