Overview: Se₂

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

Stability
Energy above convex hull [eV/atom]	0.290
Heat of formation [eV/atom]	0.290
Dynamically stable	Unknown

Basic properties

Repeat: 1234   Download: XYZ CIF JSON

Axis	x [Å]	y [Å]	z [Å]	Periodic
1	4.345	0.000	0.000	Yes
2	-2.172	3.763	0.000	Yes
3	0.000	-0.000	31.525	No

Lengths [Å]	4.345	4.345	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	Se2
Stoichiometry	A
Number of atoms	2
Unit cell area [Å2]	16.346
Thickness [Å]	0.635

Stability

Convex hull

Se2 (2Se-2)
Heat of formation [eV/atom]	0.29
Energy above convex hull [eV/atom]	0.29

Monolayers from C2DB
Se2 (2Se-1)	0.21 eV/atom
Se2, (2Se-2)	0.29 eV/atom

Bulk crystals from OQMD123
Se3	0.00 eV/atom

Miscellaneous

Miscellaneous details
Unique ID	2Se-2
Number of atoms	2
Number of species	1
Formula	Se2
Reduced formula	Se
Stoichiometry	A
Unit cell area [Å2]	16.346
Original file-system folder	/home/niflheim2/cmr/C2DB-ASR/tree_LDP/A/Se/Se2-758f11c54306
Old uid	Se2-9da0b760c6e3
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]	0.635
Structure origin	Lyngby22_LDP
Dynamically stable	Unknown
Energy [eV]	-6.386
Energy above convex hull [eV/atom]	0.290
Heat of formation [eV/atom]	0.290