Full formulaSpace groupHMHALLLattice systemBand gapStructure fileSource
Sm12S12N462Pnma-P 2ac 2nOrthorhombic1.30560 eVCIF | POSCAR | LAMMPSMaterials Project
Yb1Al2Ge2164P-3m1-P 3 2"Hexagonal0.00000 eVCIF | POSCAR | LAMMPSMaterials Project
Nb1Cu3Se4215P-43mP -4 2 3Cubic1.36040 eVCIF | POSCAR | LAMMPSMaterials Project
Er4Ag4Se819P212121P 2ac 2abOrthorhombic1.28330 eVCIF | POSCAR | LAMMPSMaterials Project
Cs2Si1F6225Fm-3m-F 4 2 3Cubic6.97310 eVCIF | POSCAR | LAMMPSMaterials Project
Sr6Rh5O15155R32R 3 2"Hexagonal0.00470 eVCIF | POSCAR | LAMMPSMaterials Project
U4P4O1864Cmca-C 2bc 2Orthorhombic0.22850 eVCIF | POSCAR | LAMMPSMaterials Project
Eu1As2Ru2139I4/mmm-I 4 2Tetragonal0.00000 eVCIF | POSCAR | LAMMPSMaterials Project
Al2P2O820C2221C 2c 2Orthorhombic5.47500 eVCIF | POSCAR | LAMMPSMaterials Project
Rb4Mn6Se872Ibam-I 2 2cOrthorhombic0.41880 eVCIF | POSCAR | LAMMPSMaterials Project
Yb1Sn1Pd2225Fm-3m-F 4 2 3Cubic0.00000 eVCIF | POSCAR | LAMMPSMaterials Project
Y4Al12Ni462Pnma-P 2ac 2nOrthorhombic0.00000 eVCIF | POSCAR | LAMMPSMaterials Project
Ca4Sc8O1662Pnma-P 2ac 2nOrthorhombic3.45800 eVCIF | POSCAR | LAMMPSMaterials Project
Cs4B4F1662Pnma-P 2ac 2nOrthorhombic7.79840 eVCIF | POSCAR | LAMMPSMaterials Project
Ca1Ni2P2139I4/mmm-I 4 2Tetragonal0.00000 eVCIF | POSCAR | LAMMPSMaterials Project
Dy1Si2Ir2139I4/mmm-I 4 2Tetragonal0.00000 eVCIF | POSCAR | LAMMPSMaterials Project
K16Ga16O3261Pbca-P 2ac 2abOrthorhombic3.04990 eVCIF | POSCAR | LAMMPSMaterials Project
Na8Ge4S1214P21/c-P 2ybcMonoclinic2.45150 eVCIF | POSCAR | LAMMPSMaterials Project
Er2Ni3B665Cmmm-C 2 2Orthorhombic0.00000 eVCIF | POSCAR | LAMMPSMaterials Project
Sm1Si2Ru2139I4/mmm-I 4 2Tetragonal0.00000 eVCIF | POSCAR | LAMMPSMaterials Project