Formula | HTi2Cl6 |
Reduced formula | HTi2Cl6 |
Stoichiometry | AB2C6 |
Number of species | 3 |
Number of atoms | 9 |
Unique ID | Ti2Cl6H |
Unit cell length [Å] | 5.750 |
X | Ti |
Y | Cl |
XY3 formula units | 2 |
Adsorbate | H |
Workfunction [V] | 6.237 |
Adsorption energy [eV] | 1.357 |
Coverage | 0.500 |
Energy [eV] | -338.207 |
Maximum force [eV/Å] | 0.016 |
Maximum stress component [eV/Å3] | 0.001 |
Total magnetic moment [μB] | 0.000 |