Layer group number 72
Space group number 164
Layer group p-3m1
Number of layers 2
Binding Energy (gs) [meV/Å2] 99.278
Space group P-3m1
Distance [Å] 2.583
Slide Stability Stable
Bilayer ID RhLi2-be44554cce47-2--1_0_0_-1-Iz-0_0
Magnetic No
Band gap (PBE) 0.000
Monolayer ID RhLi2-be44554cce47
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 28.620 No
Lengths [Å] 2.794 2.794 28.620
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

DOS BZ

AB2/1RhLi2-1/2--1_0_0_-1-Iz-0_0/fermi_surface.png

Miscellaneous details
Unique ID RhLi2-be44554cce47-2--1_0_0_-1-Iz-0_0
Number of atoms 6
Number of species 2
Formula Rh2Li4
Reduced formula RhLi2
Stoichiometry AB2
Unit cell area [Å2] 6.763
evac 3.581
folder /home/niflheim2/cmr/WIP/stacking/tree-asbjorn/tree/AB2/RhLi2/RhLi2-be44554cce47/Li2Rh-2--1_0_0_-1-Iz-0_0
Monolayer ID RhLi2-be44554cce47
Bilayer ID RhLi2-be44554cce47-2--1_0_0_-1-Iz-0_0
Number of layers 2
Layer group number 72
Layer group p-3m1
Space group number 164
Miscellaneous details
Space group P-3m1
equivalent_atoms [0 1 2 0 1 2]
has_inversion_symmetry Yes
Magnetic No
Band gap (PBE) 0.000
gap_pbe_dir 0.000
gap_pbe_nosoc 0.000
gap_pbe_dir_nosoc 0.000
dipz -0.000
with_props Yes
Slide Stability Stable
Binding energy (zscan) 100.076
Binding Energy (gs) [meV/Å2] 99.278
Distance [Å] 2.583