Overview: Sn₄

Structure info
Layer group	p6/mmm
Layer group number	80
Structure origin	Lyngby22_CDVAE

Stability
Energy above convex hull [eV/atom]	0.262
Heat of formation [eV/atom]	0.262
Dynamically stable	Unknown

Basic properties

Repeat: 1234   Download: XYZ CIF JSON

Axis	x [Å]	y [Å]	z [Å]	Periodic
1	5.051	-0.223	0.000	Yes
2	-2.336	4.490	0.000	Yes
3	-0.000	0.000	17.948	No

Lengths [Å]	5.056	5.061	17.948
Angles [°]	90.000	90.000	120.015

Crystal structure

Symmetries
2D Bravais type	Hexagonal (hp)
Layer group number	80
Layer group	p6/mmm
Space group number (bulk in AA-stacking)	191
Space group (bulk in AA-stacking)	P6/mmm
Point group	6/mmm
Inversion symmetry	Yes

Structure data
Formula	Sn4
Stoichiometry	A
Number of atoms	4
Unit cell area [Å2]	22.156
Thickness [Å]	2.948

Stability

Convex hull

Sn4 (4Sn-1)
Heat of formation [eV/atom]	0.26
Energy above convex hull [eV/atom]	0.26

Monolayers from C2DB
Sn4, (4Sn-1)	0.26 eV/atom
Sn2 (2Sn-1)	0.44 eV/atom

Bulk crystals from OQMD123
Sn2	0.00 eV/atom

Miscellaneous

Miscellaneous details
Unique ID	4Sn-1
Number of atoms	4
Number of species	1
Formula	Sn4
Reduced formula	Sn
Stoichiometry	A
Unit cell area [Å2]	22.156
Original file-system folder	/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/A/Sn/Sn4-70e76942715f
Old uid	Sn4-08d1c97661d8
Space group (bulk in AA-stacking)	P6/mmm
Space group number (bulk in AA-stacking)	191

Miscellaneous details
Point group	6/mmm
Inversion symmetry	Yes
Layer group number	80
Layer group	p6/mmm
2D Bravais type	Hexagonal (hp)
Thickness [Å]	2.948
Structure origin	Lyngby22_CDVAE
Dynamically stable	Unknown
Energy [eV]	-15.175
Energy above convex hull [eV/atom]	0.262
Heat of formation [eV/atom]	0.262