Structure info
Layer group p4/mmm
Layer group number 61
Structure origin exfoliated02-21
ICSD id of parent bulk structure ICSD 42106
Stability
Energy above convex hull [eV/atom] 0.159
Heat of formation [eV/atom] 0.159
Dynamically stable No
Basic properties
Magnetic No
Band gap (PBE) [eV] 0.000
XYZ CIF JSON
Axis x [Å] y [Å] z [Å] Periodic
1 3.011 -0.000 0.000 Yes
2 0.000 5.999 0.000 Yes
3 0.000 -0.000 30.000 No
Lengths [Å] 3.011 5.999 30.000
Angles [°] 90.000 90.000 90.000

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 Te2
Stoichiometry A
Number of atoms 2
Unit cell area [Å2] 18.065
Thickness [Å] 0.000

Te2 (2Te-1)
Heat of formation [eV/atom] 0.16
Energy above convex hull [eV/atom] 0.16
Monolayers from C2DB
Te2, (2Te-1) 0.16 eV/atom
Te2 (2Te-2) 0.29 eV/atom
Bulk crystals from OQMD123
Te3 0.00 eV/atom

A/2Te/1/phonon_bs.png
Minimum eigenvalue of Hessian [eV/Ų] -1.28

Cij (N/m) xx yy xy
xx 68.41 -0.32 0.00
yy -0.01 75.95 0.00
xy 0.00 0.00 4.45
Stiffness tensor eigenvalues
Eigenvalue 0 4.45 N/m
Eigenvalue 1 68.41 N/m
Eigenvalue 2 75.95 N/m

Key values [eV]
Band gap (PBE) 0.000
Direct band gap (PBE) 0.000
Fermi level wrt. vacuum (PBE) -5.031
DOS BZ

A/2Te/1/fermi_surface.png

Atom No. Chemical symbol Charges [|e|]
0 Te 0.00
1 Te 0.00

Miscellaneous details
Unique ID 2Te-1
Number of atoms 2
Number of species 1
Formula Te2
Reduced formula Te
Stoichiometry A
Unit cell area [Å2] 18.065
Original file-system folder /home/niflheim2/cmr/C2DB-ASR/ICSD-COD/1el/Te4
Old uid Te2-6d314d93f98b
Space group (bulk in AA-stacking) P4/mmm
Space group number (bulk in AA-stacking) 123
Point group 4/mmm
Inversion symmetry Yes
Layer group number 61
Layer group p4/mmm
2D Bravais type Square (tp)
Thickness [Å] 0.000
Miscellaneous details
Structure origin exfoliated02-21
Band gap (PBE) [eV] 0.000
Direct band gap (PBE) [eV] 0.000
gap_dir_nosoc 0.000
Vacuum level [eV] 1.309
Fermi level wrt. vacuum (PBE) [eV] -5.031
minhessianeig -1.277
Dynamically stable No
Energy [eV] -6.092
ICSD id of parent bulk structure ICSD 42106
Magnetic No
Total magnetic moment [μB] 0.000
Spin axis z
Magnetic anisotropy energy, xz [meV/unit cell] 0.000
Magnetic anisotropy energy, yz [meV/unit cell] 0.000
Energy above convex hull [eV/atom] 0.159
Heat of formation [eV/atom] 0.159