Full formulaSpace groupHMHALLLattice systemBand gapStructure fileSource
Ba2Ta2S6194P63/mmc-P 6c 2cHexagonal0.00000 eVCIF | POSCAR | LAMMPSMaterials Project
Li2Zr1F6162P-31m-P 3 2Hexagonal6.47740 eVCIF | POSCAR | LAMMPSMaterials Project
Ag10Sb2S836Cmc21C 2c -2Orthorhombic0.59200 eVCIF | POSCAR | LAMMPSMaterials Project
Er2P2O8141I41/amdI 4bw 2bw -1bwTetragonal5.91960 eVCIF | POSCAR | LAMMPSMaterials Project
Nd1Si2Ni2139I4/mmm-I 4 2Tetragonal0.00000 eVCIF | POSCAR | LAMMPSMaterials Project
Zn2Ge2As4122I-42dI -4 2bwTetragonal0.01190 eVCIF | POSCAR | LAMMPSMaterials Project
Ba2Pd2S463Cmcm-C 2c 2Orthorhombic0.38440 eVCIF | POSCAR | LAMMPSMaterials Project
Nd1Si2Ru2139I4/mmm-I 4 2Tetragonal0.00000 eVCIF | POSCAR | LAMMPSMaterials Project
Pr1Si2Cu2139I4/mmm-I 4 2Tetragonal0.00000 eVCIF | POSCAR | LAMMPSMaterials Project
Tl8Ga8S1615C2/c-C 2ycMonoclinic1.79120 eVCIF | POSCAR | LAMMPSMaterials Project
Ca8Ti8O2462Pnma-P 2ac 2nOrthorhombic2.32380 eVCIF | POSCAR | LAMMPSMaterials Project
Zr4Co2Si412C2/m-C 2yMonoclinic0.00000 eVCIF | POSCAR | LAMMPSMaterials Project
Dy8Fe56B4136P42/mnm-P 4n 2nTetragonal0.00700 eVCIF | POSCAR | LAMMPSMaterials Project
Dy2Ag2Te4113P-421mP -4 2abTetragonal0.90180 eVCIF | POSCAR | LAMMPSMaterials Project
Tm1Ni1Sb1216F-43mF -4 2 3Cubic0.25270 eVCIF | POSCAR | LAMMPSMaterials Project
K1Cr1S2166R-3m-R 3 2"Hexagonal1.16120 eVCIF | POSCAR | LAMMPSMaterials Project
Rb2Pt3S469Fmmm-F 2 2Orthorhombic1.45080 eVCIF | POSCAR | LAMMPSMaterials Project
La2Te4Se263Cmcm-C 2c 2Orthorhombic0.00000 eVCIF | POSCAR | LAMMPSMaterials Project
Rb2Re2O888I41/aI 4bw -1bwTetragonal4.11890 eVCIF | POSCAR | LAMMPSMaterials Project
Tm1Ni1C238Amm2A 2 -2Orthorhombic0.00000 eVCIF | POSCAR | LAMMPSMaterials Project