Full formula | Space group | HM | HALL | Lattice system | Band gap | Structure file | Source |
---|---|---|---|---|---|---|---|
P8H40N8O28 | 14 | P21/c | -P 2ybc | Monoclinic | 4.66560 eV | CIF | POSCAR | LAMMPS | Materials Project |
Na4P12H40N8O40 | 14 | P21/c | -P 2ybc | Monoclinic | 5.05660 eV | CIF | POSCAR | LAMMPS | Materials Project |
Cu4H48Br8O48 | 205 | Pa-3 | -P 2ac 2ab 3 | Cubic | 0.00000 eV | CIF | POSCAR | LAMMPS | Materials Project |
K12Te4P12H24O66 | 167 | R-3c | -R 3 2"c | Hexagonal | 0.45600 eV | CIF | POSCAR | LAMMPS | Materials Project |
Na8Zn4P4H60O48 | 14 | P21/c | -P 2ybc | Monoclinic | 4.16540 eV | CIF | POSCAR | LAMMPS | Materials Project |
Na4H8Br4O20 | 15 | C2/c | -C 2yc | Monoclinic | 1.31230 eV | CIF | POSCAR | LAMMPS | Materials Project |
Na8P8H12O30 | 2 | P-1 | -P 1 | Triclinic | 4.80570 eV | CIF | POSCAR | LAMMPS | Materials Project |
Ba4Re8H32O48 | 14 | P21/c | -P 2ybc | Monoclinic | 4.02260 eV | CIF | POSCAR | LAMMPS | Materials Project |
Sm2H16N6O30 | 2 | P-1 | -P 1 | Triclinic | 0.00000 eV | CIF | POSCAR | LAMMPS | Materials Project |
Mg4Cu4P4H24O30 | 15 | C2/c | -C 2yc | Monoclinic | 0.32360 eV | CIF | POSCAR | LAMMPS | Materials Project |
H8Os16Pt4C60O60 | 14 | P21/c | -P 2ybc | Monoclinic | 1.89190 eV | CIF | POSCAR | LAMMPS | Materials Project |
Yb19Mg8H54 | 204 | Im-3 | -I 2 2 3 | Cubic | 2.77560 eV | CIF | POSCAR | LAMMPS | Materials Project |
Cu9P4H2O20 | 2 | P-1 | -P 1 | Triclinic | 0.01480 eV | CIF | POSCAR | LAMMPS | Materials Project |
Na4Ga4H32N16 | 14 | P21/c | -P 2ybc | Monoclinic | 1.26110 eV | CIF | POSCAR | LAMMPS | Materials Project |
La2P6H12O12 | 2 | P-1 | -P 1 | Triclinic | 1.28930 eV | CIF | POSCAR | LAMMPS | Materials Project |
Na32Al8P16H8O72 | 57 | Pbcm | -P 2c 2b | Orthorhombic | 4.42070 eV | CIF | POSCAR | LAMMPS | Materials Project |
Ba4Y2Cu4W2O17 | 1 | P1 | P 1 | Triclinic | 0.00000 eV | CIF | POSCAR | LAMMPS | Materials Project |
Sn3Cl24O75 | 143 | P3 | P 3 | Hexagonal | 0.01240 eV | CIF | POSCAR | LAMMPS | Materials Project |
V2Cu1O6 | 2 | P-1 | -P 1 | Triclinic | 0.20160 eV | CIF | POSCAR | LAMMPS | Materials Project |
V4Cu2H12N4O12 | 7 | Pc | P -2yc | Monoclinic | 0.69500 eV | CIF | POSCAR | LAMMPS | Materials Project |