Structure
Basic information
Pretty formula | H12C4IN |
Full formula | H24C8I2N2 |
Tags | Tetramethylammonium iodide |
Constituent elements | C; H; I; N; |
Number of elements | 4 |
Number of sites | 36 |
Volume | 383.21357 Å3 |
Density | 1.74237 g/cm3 |
Source | Materials Project |
Space group
Spacegroup Number | 129 |
Hermann Mauguin | P4/nmm |
Hall | P 4ab 2ab -1ab |
Crystal System | Tetragonal |
Calculated Energies
Total energy | Energy per atom | Formation energy per atom | Band gap | Total magnetization | Energy above hull |
---|---|---|---|---|---|
-181.59583 eV | -5.04433 eV | -0.30821 eV | 4.17790 eV | -0.00028 eV | 0.07766 eV |