MatHub-3d

Formula Gap (eV) Free Energy (eV) Space group type Space group Comment Calculation progress
O1Pb1Sr3 0 -20.707 'Pm-3m' 221 MatHub3d-68148-O1Pb1Sr3 Band
Ba3O1Pb1 0 -20.995 'Pm-3m' 221 MatHub3d-13157-Ba3O1Pb1 Band
Eu2Sb4 0 -24.865 'P2_1/m' 11 MatHub3d-41687-Eu2Sb4 Band
Nb4Ni4P8 0 -98.304 'Pnma' 62 MatHub3d-66855-Nb4Ni4P8 Band
Cu6K2Te4 0.710 -33.648 'C2/m' 12 MatHub3d-39789-Cu6K2Te4 Transport
Al3B4Gd1O12 5.462 -158.751 'R32' 155 MatHub3d-2954-Al3B4Gd1O12 Band
Cl8Li6V1 3.067 -59.352 'Fm-3m' 225 MatHub3d-29965-Cl8Li6V1 Band
S8Sb2Tl6 1.529 -59.406 'P1' 1 MatHub3d-72967-S8Sb2Tl6 Transport
Cd4Cl2P6 1.162 -41.848 'C2/c' 15 MatHub3d-27155-Cd4Cl2P6 Transport
Br2Cd4P6 1.096 -40.841 'C2/c' 15 MatHub3d-17294-Br2Cd4P6 Transport
Cd4I2P6 1.065 -39.581 'C2/c' 15 MatHub3d-27235-Cd4I2P6 Transport
C6Hg2N6Rb2S6 2.022 -132.121 'P2_1/m' 11 MatHub3d-21028-C6Hg2N6Rb2S6 Band
Cl8Nb2 1.399 -44.799 'C2/m' 12 MatHub3d-30002-Cl8Nb2 Transport
Be18H20He2Li2 0.309 -132.424 'P-1' 2 MatHub3d-15427-Be18H20He2Li2 Band
La3O10Os2 0 -113.669 'C2/m' 12 MatHub3d-58233-La3O10Os2 Band
Ba2O6Te2 2.715 -59.196 'P2_1/m' 11 MatHub3d-12943-Ba2O6Te2 Transport
Fe8O16Si4 2.762 -204.702 'Pnma' 62 MatHub3d-48109-Fe8O16Si4 Transport
Cs2O24P8Pr2 5.297 -261.960 'P2_1' 4 MatHub3d-36625-Cs2O24P8Pr2 Band
Br4Cu4Se12 1.161 -61.723 'Pmna' 53 MatHub3d-17594-Br4Cu4Se12 Transport
O12Sb4Tl4 2.477 -108.083 'P6_322' 182 MatHub3d-69082-O12Sb4Tl4 Transport
Co4Mo6O16 0 -189.699 'P6_3mc' 186 MatHub3d-33012-Co4Mo6O16 Band
Mn4Mo6O16 1.735 -207.452 'P6_3mc' 186 MatHub3d-63643-Mn4Mo6O16 Band
Al2Na2Si2 0 -21.558 'P4/nmm' 129 MatHub3d-2843-Al2Na2Si2 Band
Al2Ge2Na2 0 -20.328 'P4/nmm' 129 MatHub3d-2681-Al2Ge2Na2 Band
O14Ti8 1.143 -175.293 'P-1' 2 MatHub3d-69359-O14Ti8 Band