Overview: Te₄Ge₂

Structure info
Layer group	c2/m11
Layer group number	18
Structure origin	Lyngby22_LDP

Stability
Energy above convex hull [eV/atom]	0.206
Heat of formation [eV/atom]	0.144
Dynamically stable	Unknown

Basic properties

Repeat: 1234   Download: XYZ CIF JSON

Axis	x [Å]	y [Å]	z [Å]	Periodic
1	5.371	-0.000	0.000	Yes
2	-0.000	6.806	0.000	Yes
3	-0.000	-0.000	16.451	No

Lengths [Å]	5.371	6.806	16.451
Angles [°]	90.000	90.000	90.000

Crystal structure

Symmetries
2D Bravais type	Centered rectangular (oc)
Layer group number	18
Layer group	c2/m11
Space group number (bulk in AA-stacking)	12
Space group (bulk in AA-stacking)	C2/m
Point group	2/m
Inversion symmetry	Yes

Structure data
Formula	Te4Ge2
Stoichiometry	AB2
Number of atoms	6
Unit cell area [Å2]	36.558
Thickness [Å]	2.439

Stability

Convex hull

Ge2Te4 (2GeTe2-1)
Heat of formation [eV/atom]	0.14
Energy above convex hull [eV/atom]	0.21

Monolayers from C2DB
Te2Ge2 (2GeTe-1)	-0.04 eV/atom
TeGe (1GeTe-1)	-0.01 eV/atom
Te2Ge2 (2GeTe-2)	-0.00 eV/atom
Te2Ge (1GeTe2-1)	0.07 eV/atom
Te2Ge (1GeTe2-2)	0.08 eV/atom
Te4Ge2, (2GeTe2-1)	0.14 eV/atom
Te2 (2Te-1)	0.16 eV/atom
Te2Ge (1GeTe2-3)	0.20 eV/atom
Te4Ge2 (2GeTe2-2)	0.27 eV/atom
Te2 (2Te-2)	0.29 eV/atom
Te2Ge2 (2GeTe-3)	0.38 eV/atom
Ge2 (2Ge-1)	0.48 eV/atom
Ge2 (2Ge-2)	0.49 eV/atom

Bulk crystals from OQMD123
TeGe	-0.09 eV/atom
Ge2	0.00 eV/atom
Te3	0.00 eV/atom

Miscellaneous

Miscellaneous details
Unique ID	2GeTe2-1
Number of atoms	6
Number of species	2
Formula	Te4Ge2
Reduced formula	Te2Ge
Stoichiometry	AB2
Unit cell area [Å2]	36.558
Original file-system folder	/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB2/GeTe2/Ge2Te4-77ec38615683
Old uid	Ge2Te4-f0dc398ff502
Space group (bulk in AA-stacking)	C2/m
Space group number (bulk in AA-stacking)	12

Miscellaneous details
Point group	2/m
Inversion symmetry	Yes
Layer group number	18
Layer group	c2/m11
2D Bravais type	Centered rectangular (oc)
Thickness [Å]	2.439
Structure origin	Lyngby22_LDP
Dynamically stable	Unknown
Energy [eV]	-20.986
Energy above convex hull [eV/atom]	0.206
Heat of formation [eV/atom]	0.144