Navigation

HEAS Data Platform · Materials Science Database

V(CoTe3)2

Alexandria ALEX

Alex-ID: agm005690207 · Space group: C2/m (#12)

Basic Information

Formula
V(CoTe3)2
Alex-ID
agm005690207
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
232.20
ų
Cell a
3.6468
Å
Cell b
7.3017
Å
Cell c
10.6715
Å
α angle
121.30
°
β angle
90.00
°
γ angle
104.46
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
V(CoTe3)2
V
1.00 · 11.1%
Co
2.00 · 22.2%
Te
6.00 · 66.7%

Energy & Stability

Energy above hull
0.0272
eV/atom
Formation energy
-0.2109
eV/atom
Corrected total energy
-44.1143
eV
Raw total energy
-44.1143
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.0153
Total magnetisation
0.0121
μB

Additional Information

Prototype ID

AB2C6_3163_spg12

Decomposition

VTe2 CoTe2

Computed at

2023-07-10 13:45:03.790551

Citation

Alexandria website
https://alexandria.icams.rub.de/
Attribution

The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690207).

Reference

Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620

BibTeX
@article{Cavignac2026Alexandria,
  author  = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
             and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
             and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
             and Marques, Miguel A. L.},
  title   = {{AI}-Driven expansion and application of the {A}lexandria database},
  journal = {Journal of Physics: Materials},
  year    = {2026},
  volume  = {9},
  number  = {2},
  pages   = {025014},
  doi     = {10.1088/2515-7639/ae6620},
  url     = {https://doi.org/10.1088/2515-7639/ae6620}
}

3D Crystal Structure Rendering

Loading 3D structure…

Style: Ball & Stick
Raw CIF Data
# CIF generated by HEAS from Alexandria entry agm005690207
data_agm005690207
_cell_length_a     3.64682
_cell_length_b     7.30166
_cell_length_c     10.67152
_cell_angle_alpha  121.29948
_cell_angle_beta   90.00001
_cell_angle_gamma  104.46127
_cell_volume       232.20283
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
  'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
  V1 V 0.00000 0.00000 0.50000 1.00000
  Co1 Co 0.65366 0.30732 0.81201 1.00000
  Co2 Co 0.34634 0.69268 0.18799 1.00000
  Te1 Te 0.00902 0.01804 0.75726 1.00000
  Te2 Te 0.69639 0.39277 0.07987 1.00000
  Te3 Te 0.30361 0.60723 0.92013 1.00000
  Te4 Te 0.66504 0.33008 0.58223 1.00000
  Te5 Te 0.33496 0.66992 0.41777 1.00000
  Te6 Te 0.99098 0.98196 0.24274 1.00000
Get direct link