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V3Co5Si

Alexandria ALEX

Alex-ID: agm072803718 · Space group: Cm (#8)

Basic Information

Formula
V3Co5Si
Alex-ID
agm072803718
Elements
3
Sites
9
Space group
Cm (#8)
Crystal system
monoclinic
Volume
102.49
ų
Cell a
5.6778
Å
Cell b
5.6778
Å
Cell c
5.5795
Å
α angle
72.20
°
β angle
72.20
°
γ angle
37.01
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
V3Co5Si
V
3.00 · 33.3%
Co
5.00 · 55.6%
Si
1.00 · 11.1%

Energy & Stability

Energy above hull
0.1216
eV/atom
Formation energy
-0.1864
eV/atom
Corrected total energy
-70.0752
eV
Raw total energy
-70.0752
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0335
eV
DOS at Fermi level
11.2805
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB3C5_1076_spg8

Decomposition

V2Co VCo3 VCoSi

Computed at

2024-09-24 20:56:30.188205

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: agm072803718).

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 agm072803718
data_agm072803718
_cell_length_a     5.67779
_cell_length_b     5.67779
_cell_length_c     5.57950
_cell_angle_alpha  72.19969
_cell_angle_beta   72.19969
_cell_angle_gamma  37.00898
_cell_volume       102.48993
_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 0.57963 0.57963 0.44706 1.00000
  V2 V 0.91078 0.91078 0.45628 1.00000
  V3 V 0.24323 0.24323 0.45819 1.00000
  Co1 Co 0.01808 0.01808 0.79241 1.00000
  Co2 Co 0.80502 0.80502 0.11437 1.00000
  Co3 Co 0.35939 0.35939 0.78852 1.00000
  Co4 Co 0.46362 0.46362 0.11577 1.00000
  Co5 Co 0.68834 0.68834 0.78888 1.00000
  Si1 Si 0.14127 0.14127 0.07710 1.00000
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