Layer group number 78
Space group number 187
Dynamically stable Yes
Layer group p-6m2
Energy above convex hull [eV/atom] 0.157
Number of layers 1
Space group P-6m2
Magnetic No
Band gap (PBE) 0.000
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 2.794 -0.000 0.000 Yes
2 -1.397 2.420 0.000 Yes
3 0.000 0.000 18.688 No
Lengths [Å] 2.794 2.794 18.688
Angles [°] 90.000 90.000 120.000

AB2/1RhLi2-1/monolayer/stackings.png
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
This work is licensed under a Creative Commons Attribution-ShareAlike 4.0 International License.
Creative Commons License
Powered by Bottle and CAMD-Web