| Full formula | Space group | HM | HALL | Lattice system | Band gap | Structure file | Source |
|---|---|---|---|---|---|---|---|
| Ga3Ni2 | 164 | P-3m1 | -P 3 2" | Hexagonal | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| Co2Se2Tl | 139 | I4/mmm | -I 4 2 | Tetragonal | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| Au2NpSi2 | 139 | I4/mmm | -I 4 2 | Tetragonal | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| B2Co2Pr | 139 | I4/mmm | -I 4 2 | Tetragonal | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| Dy2O3 | 164 | P-3m1 | -P 3 2" | Hexagonal | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| Al2Si2Y | 164 | P-3m1 | -P 3 2" | Hexagonal | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| Al2DySi2 | 164 | P-3m1 | -P 3 2" | Hexagonal | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| Au3In2 | 164 | P-3m1 | -P 3 2" | Hexagonal | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| Al2CaZn2 | 139 | I4/mmm | -I 4 2 | Tetragonal | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| As2BaRh2 | 139 | I4/mmm | -I 4 2 | Tetragonal | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| Cu2Se2Tl | 139 | I4/mmm | -I 4 2 | Tetragonal | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| Gd2Ni2 | 63 | Cmcm | -C 2c 2 | Orthorhombic | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| Ni2Si2Tm | 139 | I4/mmm | -I 4 2 | Tetragonal | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| Al2Ge2La | 164 | P-3m1 | -P 3 2" | Hexagonal | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| BC2Sc2 | 139 | I4/mmm | -I 4 2 | Tetragonal | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| DyNi2Si2 | 139 | I4/mmm | -I 4 2 | Tetragonal | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| Al4Nd | 139 | I4/mmm | -I 4 2 | Tetragonal | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| PtRb2Se2 | 71 | Immm | -I 2 2 | Orthorhombic | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| Ag2Ge2Pr | 139 | I4/mmm | -I 4 2 | Tetragonal | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| Al2BaGe2 | 139 | I4/mmm | -I 4 2 | Tetragonal | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |