Full formulaSpace groupHMHALLLattice systemBand gapStructure fileSource
Lu3166R-3m-R 3 2"Hexagonal0.00000 eVCIF | POSCAR | LAMMPSOQMD
Tm3166R-3m-R 3 2"Hexagonal0.00000 eVCIF | POSCAR | LAMMPSOQMD
Ne225Fm-3m-F 4 2 3Cubic0.00000 eVCIF | POSCAR | LAMMPSOQMD
H229Im-3m-I 4 2 3Cubic0.00000 eVCIF | POSCAR | LAMMPSOQMD
H225Fm-3m-F 4 2 3Cubic0.00000 eVCIF | POSCAR | LAMMPSOQMD
Gd225Fm-3m-F 4 2 3Cubic0.00000 eVCIF | POSCAR | LAMMPSOQMD
La229Im-3m-I 4 2 3Cubic0.00000 eVCIF | POSCAR | LAMMPSOQMD
Pr229Im-3m-I 4 2 3Cubic0.00000 eVCIF | POSCAR | LAMMPSOQMD
Yb229Im-3m-I 4 2 3Cubic0.00000 eVCIF | POSCAR | LAMMPSOQMD
U229Im-3m-I 4 2 3Cubic0.00000 eVCIF | POSCAR | LAMMPSOQMD
Eu229Im-3m-I 4 2 3Cubic0.00000 eVCIF | POSCAR | LAMMPSOQMD
Yb225Fm-3m-F 4 2 3Cubic0.00000 eVCIF | POSCAR | LAMMPSOQMD
Kr225Fm-3m-F 4 2 3Cubic0.00000 eVCIF | POSCAR | LAMMPSOQMD
Sr229Im-3m-I 4 2 3Cubic0.00000 eVCIF | POSCAR | LAMMPSOQMD
V225Fm-3m-F 4 2 3Cubic0.00000 eVCIF | POSCAR | LAMMPSOQMD
Rb229Im-3m-I 4 2 3Cubic0.00000 eVCIF | POSCAR | LAMMPSOQMD
Ta225Fm-3m-F 4 2 3Cubic0.00000 eVCIF | POSCAR | LAMMPSOQMD
V229Im-3m-I 4 2 3Cubic0.00000 eVCIF | POSCAR | LAMMPSOQMD
Ne225Fm-3m-F 4 2 3Cubic0.00000 eVCIF | POSCAR | LAMMPSOQMD
Al225Fm-3m-F 4 2 3Cubic0.00000 eVCIF | POSCAR | LAMMPSOQMD