Number of layers | 1 |
Dynamically stable | Yes |
Band gap (PBE) | 0.000 |
Space group | P-6m2 |
Magnetic | No |
Space group number | 187 |
Layer group | p-6m2 |
Energy above convex hull [eV/atom] | 0.157 |
Layer group number | 78 |
Stacking | Binding energy [meV/Å2] | Slide Stability |
---|---|---|
1RhLi2-1-2--1_0_0_-1-Iz-0.33_-0.33 | 93.612 | None |
1RhLi2-1-2-1_0_0_1-0_0 | 93.618 | None |
1RhLi2-1-2--1_0_0_-1-Iz-0_0 | 99.278 | Stable |
1RhLi2-1-2-1_0_0_1--0.67_-0.33 | 99.433 | Stable |
1RhLi2-1-2--1_0_0_-1-Iz--0.33_-0.67 | 99.604 | Stable |
Miscellaneous details | |
---|---|
Unique ID | RhLi2-be44554cce47 |
Number of atoms | 3 |
Number of species | 2 |
Formula | RhLi2 |
Reduced formula | RhLi2 |
Stoichiometry | AB2 |
Unit cell area [Å2] | 6.763 |
evac | 2.837 |
folder | /home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/AB2/RhLi2/RhLi2-be44554cce47 |
Monolayer ID | RhLi2-be44554cce47 |
Number of layers | 1 |
Layer group number | 78 |
Layer group | p-6m2 |
Miscellaneous details | |
---|---|
Space group number | 187 |
Space group | P-6m2 |
equivalent_atoms | [0 1 1] |
has_inversion_symmetry | No |
Magnetic | No |
Energy above convex hull [eV/atom] | 0.157 |
Dynamically stable | Yes |
Band gap (PBE) | 0.000 |
gap_pbe_dir | 0.000 |
gap_pbe_nosoc | 0.000 |
gap_pbe_dir_nosoc | 0.000 |
dipz | 0.000 |