MatHub-3d

Formula Gap (eV) Free Energy (eV) Space group type Space group Comment Calculation progress
Ga8Nb10 0 -112.897 'P6_3/mcm' 193 MatHub3d-49260-Ga8Nb10 Band
Ga1Nb1Ni2 0 -17.531 'Fm-3m' 225 MatHub3d-48660-Ga1Nb1Ni2 Band
Ba2Ge6O18Sn2 2.892 -182.725 'P-6c2' 188 MatHub3d-12644-Ba2Ge6O18Sn2 Transport
Ga2Nb10Sn4 0 -109.071 'I4/mcm' 140 MatHub3d-48836-Ga2Nb10Sn4 Band
Ga2Nd2 0 -17.393 'Cmcm' 63 MatHub3d-48838-Ga2Nd2 Band
Ga1Nd3 0 -17.879 'Pm-3m' 221 MatHub3d-48667-Ga1Nd3 Band
Ga3Nd1 0 -14.626 'Pm-3m' 221 MatHub3d-48921-Ga3Nd1 Band
Ga2Nd1 0 -12.464 'P6/mmm' 191 MatHub3d-48837-Ga2Nd1 Band
Ba2O18Si6Sn2 4.036 -209.119 'P-6c2' 188 MatHub3d-12987-Ba2O18Si6Sn2 Transport
Ga4Nd2Ni2 0 -30.645 'Cmmm' 65 MatHub3d-49046-Ga4Nd2Ni2 Band
Ga1Ni1 0 -6.283 'Pm-3m' 221 MatHub3d-48668-Ga1Ni1 Band
Ga1Ni3 0 -11.430 'Pm-3m' 221 MatHub3d-48676-Ga1Ni3 Band
H6Li2O12Se4 4.240 -123.006 'Pc' 7 MatHub3d-51918-H6Li2O12Se4 Band
Ga3Ni2 0 -15.855 'P-3m1' 164 MatHub3d-48923-Ga3Ni2 Band
Ga3Ni5 0 -24.234 'Cmmm' 65 MatHub3d-48926-Ga3Ni5 Band
Ga9Ni13 0 -67.242 'C2/m' 12 MatHub3d-49303-Ga9Ni13 Band
Ga1Ni2Sc1 0 -14.849 'Fm-3m' 225 MatHub3d-48671-Ga1Ni2Sc1 Band
Ga4Ni2Sc2 0 -31.444 'Cmcm' 63 MatHub3d-49052-Ga4Ni2Sc2 Band
Ga1Ni2Ta1 0 -19.288 'Fm-3m' 225 MatHub3d-48672-Ga1Ni2Ta1 Band
Ga3Ni3Ti3 0 -34.601 'P-62m' 189 MatHub3d-48924-Ga3Ni3Ti3 Band
Ga1Ni2Ti1 0 -14.497 'Fm-3m' 225 MatHub3d-48673-Ga1Ni2Ti1 Band
Ga6Ni4Ti8 0 -72.089 'P-62m' 189 MatHub3d-49179-Ga6Ni4Ti8 Band
C8N12P4S8 3.346 -225.488 'P-1' 2 MatHub3d-21917-C8N12P4S8 Band
Ga1Ni2V1 0 -15.205 'Fm-3m' 225 MatHub3d-48674-Ga1Ni2V1 Band
Ga4Ni2Y2 0 -34.326 'Cmcm' 63 MatHub3d-49053-Ga4Ni2Y2 Band