Full formulaSpace groupHMHALLLattice systemBand gapStructure fileSource
Sm1Co2B2139I4/mmm-I 4 2Tetragonal0.00000 eVCIF | POSCAR | LAMMPSMaterials Project
Tb2Zr2Sb2139I4/mmm-I 4 2Tetragonal0.00000 eVCIF | POSCAR | LAMMPSMaterials Project
V1Co1Sb1216F-43mF -4 2 3Cubic0.00000 eVCIF | POSCAR | LAMMPSMaterials Project
Cd2C4N4215P-43mP -4 2 3Cubic6.08570 eVCIF | POSCAR | LAMMPSMaterials Project
La4S2O1215C2/c-C 2ycMonoclinic4.72640 eVCIF | POSCAR | LAMMPSMaterials Project
Sc3Al1C1221Pm-3m-P 4 2 3Cubic0.00000 eVCIF | POSCAR | LAMMPSMaterials Project
Ta1Cu3Se4215P-43mP -4 2 3Cubic1.59800 eVCIF | POSCAR | LAMMPSMaterials Project
Mg2Cu2As2129P4/nmmP 4ab 2ab -1abTetragonal0.00000 eVCIF | POSCAR | LAMMPSMaterials Project
La4Sn4O14227Fd-3mF 4d 2 3 -1dCubic2.65910 eVCIF | POSCAR | LAMMPSMaterials Project
La1Fe2Si2139I4/mmm-I 4 2Tetragonal0.00000 eVCIF | POSCAR | LAMMPSMaterials Project
Ce1Si2Rh2139I4/mmm-I 4 2Tetragonal0.00000 eVCIF | POSCAR | LAMMPSMaterials Project
Ni8Mo12N4213P4132P 4bd 2ab 3Cubic0.00000 eVCIF | POSCAR | LAMMPSMaterials Project
Sr4Se4O1614P21/c-P 2ybcMonoclinic3.51200 eVCIF | POSCAR | LAMMPSMaterials Project
Cu3P2O82P-1-P 1Triclinic0.00000 eVCIF | POSCAR | LAMMPSMaterials Project
Ce2Al2O6140I4/mcm-I 4 2cTetragonal0.00000 eVCIF | POSCAR | LAMMPSMaterials Project
Ca8Ir2O12167R-3c-R 3 2"cHexagonal0.00000 eVCIF | POSCAR | LAMMPSMaterials Project
Sr4Sb4O1474Imma-I 2b 2Orthorhombic1.35710 eVCIF | POSCAR | LAMMPSMaterials Project
Ho2P2O8141I41/amdI 4bw 2bw -1bwTetragonal5.92090 eVCIF | POSCAR | LAMMPSMaterials Project
Ho1Si2Cu2139I4/mmm-I 4 2Tetragonal0.00000 eVCIF | POSCAR | LAMMPSMaterials Project
Yb3Sn3Pd3189P-62mP -6 -2Hexagonal0.00000 eVCIF | POSCAR | LAMMPSMaterials Project