| Full formula | Space group | HM | HALL | Lattice system | Band gap | Structure file | Source |
|---|---|---|---|---|---|---|---|
| Rb | 229 | Im-3m | -I 4 2 3 | Cubic | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| Gd | 225 | Fm-3m | -F 4 2 3 | Cubic | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| V | 229 | Im-3m | -I 4 2 3 | Cubic | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| Al | 225 | Fm-3m | -F 4 2 3 | Cubic | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| OZn | 221 | Pm-3m | -P 4 2 3 | Cubic | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| NTa | 187 | P-6m2 | P -6 2 | Hexagonal | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| ErIr | 221 | Pm-3m | -P 4 2 3 | Cubic | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| PrZn | 221 | Pm-3m | -P 4 2 3 | Cubic | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| Tm2 | 194 | P63/mmc | -P 6c 2c | Hexagonal | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| CaSe | 225 | Fm-3m | -F 4 2 3 | Cubic | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| CaTe | 225 | Fm-3m | -F 4 2 3 | Cubic | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| Ti | 229 | Im-3m | -I 4 2 3 | Cubic | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| Sb | 225 | Fm-3m | -F 4 2 3 | Cubic | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| Ne | 225 | Fm-3m | -F 4 2 3 | Cubic | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| Ne | 225 | Fm-3m | -F 4 2 3 | Cubic | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| Ne | 225 | Fm-3m | -F 4 2 3 | Cubic | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| Ne | 225 | Fm-3m | -F 4 2 3 | Cubic | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| I | 71 | Immm | -I 2 2 | Orthorhombic | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| Ne | 225 | Fm-3m | -F 4 2 3 | Cubic | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |
| Ne | 225 | Fm-3m | -F 4 2 3 | Cubic | 0.00000 eV | CIF | POSCAR | LAMMPS | OQMD |