Overview: S₂

Structure info
Layer group	p4/mmm
Layer group number	61
Structure origin	Lyngby22_LDP

Stability
Energy above convex hull [eV/atom]	0.449
Heat of formation [eV/atom]	0.449
Dynamically stable	Unknown

Basic properties

Repeat: 1234   Download: XYZ CIF JSON

Axis	x [Å]	y [Å]	z [Å]	Periodic
1	2.420	-0.000	0.000	Yes
2	0.000	4.644	0.000	Yes
3	0.000	-0.000	30.000	No

Lengths [Å]	2.420	4.644	30.000
Angles [°]	90.000	90.000	90.000

Crystal structure

Symmetries
2D Bravais type	Square (tp)
Layer group number	61
Layer group	p4/mmm
Space group number (bulk in AA-stacking)	123
Space group (bulk in AA-stacking)	P4/mmm
Point group	4/mmm
Inversion symmetry	Yes

Structure data
Formula	S2
Stoichiometry	A
Number of atoms	2
Unit cell area [Å2]	11.237
Thickness [Å]	0.000

Stability

Convex hull

S2 (2S-1)
Heat of formation [eV/atom]	0.45
Energy above convex hull [eV/atom]	0.45

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-1
Number of atoms	2
Number of species	1
Formula	S2
Reduced formula	S
Stoichiometry	A
Unit cell area [Å2]	11.237
Original file-system folder	/home/niflheim2/cmr/C2DB-ASR/tree_LDP/A/S/S2-d08f5f67493b
Old uid	S2-cbf5e7dcd88f
Space group (bulk in AA-stacking)	P4/mmm
Space group number (bulk in AA-stacking)	123

Miscellaneous details
Point group	4/mmm
Inversion symmetry	Yes
Layer group number	61
Layer group	p4/mmm
2D Bravais type	Square (tp)
Thickness [Å]	0.000
Structure origin	Lyngby22_LDP
Dynamically stable	Unknown
Energy [eV]	-7.258
Energy above convex hull [eV/atom]	0.449
Heat of formation [eV/atom]	0.449