Overview: Ag₂Se₂

Structure info
Layer group	pmmn
Layer group number	46
Structure origin	Lyngby22_LDP

Stability
Energy above convex hull [eV/atom]	0.120
Heat of formation [eV/atom]	0.053
Dynamically stable	Unknown

Basic properties

Repeat: 1234   Download: XYZ CIF JSON

Axis	x [Å]	y [Å]	z [Å]	Periodic
1	2.863	0.000	0.000	Yes
2	-0.000	4.468	0.000	Yes
3	-0.000	0.000	33.877	No

Lengths [Å]	2.863	4.468	33.877
Angles [°]	90.000	90.000	90.000

Crystal structure

Symmetries
2D Bravais type	Rectangular (op)
Layer group number	46
Layer group	pmmn
Space group number (bulk in AA-stacking)	59
Space group (bulk in AA-stacking)	Pmmn
Point group	mmm
Inversion symmetry	Yes

Structure data
Formula	Ag2Se2
Stoichiometry	AB
Number of atoms	4
Unit cell area [Å2]	12.795
Thickness [Å]	4.154

Stability

Convex hull

Ag2Se2 (2AgSe-2)
Heat of formation [eV/atom]	0.05
Energy above convex hull [eV/atom]	0.12

Monolayers from C2DB
Se2Ag4 (2SeAg2-1)	-0.09 eV/atom
Se8Ag16 (8SeAg2-1)	-0.07 eV/atom
Ag4Se4 (4AgSe-1)	-0.02 eV/atom
Ag2Se2 (2AgSe-1)	0.02 eV/atom
Ag8Se12 (4Ag2Se3-1)	0.03 eV/atom
Ag2Se4 (2AgSe2-1)	0.05 eV/atom
Ag2Se2, (2AgSe-2)	0.05 eV/atom
Ag2Se2 (2AgSe-3)	0.06 eV/atom
AgSe2 (1AgSe2-1)	0.11 eV/atom
SeAg2 (1SeAg2-1)	0.15 eV/atom
Ag2Se2 (2AgSe-4)	0.15 eV/atom
Ag2Se2 (2AgSe-5)	0.18 eV/atom
Ag2Se4 (2AgSe2-2)	0.19 eV/atom
Se2 (2Se-1)	0.21 eV/atom
AgSe2 (1AgSe2-2)	0.22 eV/atom
Ag2Se2 (2AgSe-6)	0.27 eV/atom
Se2 (2Se-2)	0.29 eV/atom
Ag2 (2Ag-1)	0.31 eV/atom
AgSe2 (1AgSe2-3)	0.32 eV/atom

Bulk crystals from OQMD123
Ag8Se4	-0.07 eV/atom
Ag4	0.00 eV/atom
Se3	0.00 eV/atom

Miscellaneous

Miscellaneous details
Unique ID	2AgSe-2
Number of atoms	4
Number of species	2
Formula	Ag2Se2
Reduced formula	AgSe
Stoichiometry	AB
Unit cell area [Å2]	12.795
Original file-system folder	/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/AgSe/Ag2Se2-1b318effe17f
Old uid	Ag2Se2-82f915ad5323
Space group (bulk in AA-stacking)	Pmmn
Space group number (bulk in AA-stacking)	59

Miscellaneous details
Point group	mmm
Inversion symmetry	Yes
Layer group number	46
Layer group	pmmn
2D Bravais type	Rectangular (op)
Thickness [Å]	4.154
Structure origin	Lyngby22_LDP
Dynamically stable	Unknown
Energy [eV]	-12.434
Energy above convex hull [eV/atom]	0.120
Heat of formation [eV/atom]	0.053