Overview: Pd₂Te₂

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

Stability
Energy above convex hull [eV/atom]	0.124
Heat of formation [eV/atom]	-0.253
Dynamically stable	Unknown

Basic properties

Repeat: 1234   Download: XYZ CIF JSON

Axis	x [Å]	y [Å]	z [Å]	Periodic
1	4.103	0.000	0.000	Yes
2	0.000	4.103	0.000	Yes
3	0.000	-0.000	17.608	No

Lengths [Å]	4.103	4.103	17.608
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	Pd2Te2
Stoichiometry	AB
Number of atoms	4
Unit cell area [Å2]	16.837
Thickness [Å]	3.464

Stability

Convex hull

Pd2Te2 (2PdTe-1)
Heat of formation [eV/atom]	-0.25
Energy above convex hull [eV/atom]	0.12

Monolayers from C2DB
PdTe2 (1PdTe2-1)	-0.26 eV/atom
Pd2Te4 (2PdTe2-1)	-0.26 eV/atom
Pd2Te2, (2PdTe-1)	-0.25 eV/atom
Pd2Te2 (2PdTe-2)	-0.24 eV/atom
Pd2Te2 (2PdTe-3)	-0.17 eV/atom
Pd2Te6 (2PdTe3-1)	-0.15 eV/atom
PdTe2 (1PdTe2-2)	-0.12 eV/atom
Pd2Te6 (2PdTe3-2)	-0.12 eV/atom
PdTe2 (1PdTe2-3)	-0.04 eV/atom
Pd2Te2 (2PdTe-4)	0.04 eV/atom
Pd2Te2 (2PdTe-5)	0.05 eV/atom
Te2 (2Te-1)	0.16 eV/atom
Te2 (2Te-2)	0.29 eV/atom

Bulk crystals from OQMD123
Pd2Te2	-0.38 eV/atom
Pd6Te4	-0.36 eV/atom
PdTe2	-0.35 eV/atom
Pd20Te7	-0.31 eV/atom
Pd26Te6	-0.24 eV/atom
Pd	0.00 eV/atom
Te3	0.00 eV/atom

Miscellaneous

Miscellaneous details
Unique ID	2PdTe-1
Number of atoms	4
Number of species	2
Formula	Pd2Te2
Reduced formula	PdTe
Stoichiometry	AB
Unit cell area [Å2]	16.837
Original file-system folder	/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/PdTe/Pd2Te2-ad15ea6d9a60
Old uid	Pd2Te2-8f7d2d77acf5
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]	3.464
Structure origin	Lyngby22_LDP
Dynamically stable	Unknown
Energy [eV]	-15.064
Energy above convex hull [eV/atom]	0.124
Heat of formation [eV/atom]	-0.253