Overview: S₂

Structure info
Layer group	p-3m1
Layer group number	72
Structure origin	Lyngby22_LDP

Stability
Energy above convex hull [eV/atom]	0.617
Heat of formation [eV/atom]	0.617
Dynamically stable	Unknown

Basic properties

Repeat: 1234   Download: XYZ CIF JSON

Axis	x [Å]	y [Å]	z [Å]	Periodic
1	3.939	0.000	0.000	Yes
2	-1.969	3.411	0.000	Yes
3	0.000	0.000	31.525	No

Lengths [Å]	3.939	3.939	31.525
Angles [°]	90.000	90.000	120.000

Crystal structure

Symmetries
2D Bravais type	Hexagonal (hp)
Layer group number	72
Layer group	p-3m1
Space group number (bulk in AA-stacking)	164
Space group (bulk in AA-stacking)	P-3m1
Point group	-3m
Inversion symmetry	Yes

Structure data
Formula	S2
Stoichiometry	A
Number of atoms	2
Unit cell area [Å2]	13.434
Thickness [Å]	0.548

Stability

Convex hull

S2 (2S-2)
Heat of formation [eV/atom]	0.62
Energy above convex hull [eV/atom]	0.62

Monolayers from C2DB
S2 (2S-1)	0.45 eV/atom
S2, (2S-2)	0.62 eV/atom

Bulk crystals from OQMD123
S48	0.00 eV/atom

Miscellaneous

Miscellaneous details
Unique ID	2S-2
Number of atoms	2
Number of species	1
Formula	S2
Reduced formula	S
Stoichiometry	A
Unit cell area [Å2]	13.434
Original file-system folder	/home/niflheim2/cmr/C2DB-ASR/tree_LDP/A/S/S2-6831594373a9
Old uid	S2-93296eab7b1f
Space group (bulk in AA-stacking)	P-3m1
Space group number (bulk in AA-stacking)	164

Miscellaneous details
Point group	-3m
Inversion symmetry	Yes
Layer group number	72
Layer group	p-3m1
2D Bravais type	Hexagonal (hp)
Thickness [Å]	0.548
Structure origin	Lyngby22_LDP
Dynamically stable	Unknown
Energy [eV]	-6.923
Energy above convex hull [eV/atom]	0.617
Heat of formation [eV/atom]	0.617