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HEAS Data Platform · Materials Science Database

VCo5Ni6

Alexandria ALEX

Alex-ID: agm006134752 · Space group: Immm (#71)

Basic Information

Formula
VCo5Ni6
Alex-ID
agm006134752
Elements
3
Sites
12
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
132.33
ų
Cell a
3.4801
Å
Cell b
6.6112
Å
Cell c
6.6112
Å
α angle
105.19
°
β angle
105.24
°
γ angle
105.24
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
VCo5Ni6
Ni
6.00 · 50.0%
Co
5.00 · 41.7%
V
1.00 · 8.3%

Energy & Stability

Energy above hull
0.0600
eV/atom
Formation energy
-0.0283
eV/atom
Corrected total energy
-79.7805
eV
Raw total energy
-79.7805
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0006
eV
DOS at Fermi level
15.0819
Total magnetisation
10.3464
μB

Additional Information

Prototype ID

AB5C6_46_spg71

Decomposition

VNi8 Co3Ni VNi3

Computed at

2023-09-11 07:57:49.616316

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: agm006134752).

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 agm006134752
data_agm006134752
_cell_length_a     3.48014
_cell_length_b     6.61118
_cell_length_c     6.61118
_cell_angle_alpha  105.19472
_cell_angle_beta   105.24415
_cell_angle_gamma  105.24416
_cell_volume       132.32578
_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
  Ni1 Ni 0.25105 0.08347 0.41848 1.00000
  Ni2 Ni 0.74895 0.58152 0.91653 1.00000
  Ni3 Ni 0.75173 0.25186 0.25186 1.00000
  Ni4 Ni 0.24827 0.74814 0.74814 1.00000
  Ni5 Ni 0.25105 0.41848 0.08347 1.00000
  Ni6 Ni 0.74895 0.91653 0.58152 1.00000
  Co1 Co 0.50000 0.16608 0.83392 1.00000
  Co2 Co 1.00000 0.33357 0.66643 1.00000
  Co3 Co 0.50000 0.50000 0.50000 1.00000
  Co4 Co 0.00000 0.66643 0.33357 1.00000
  Co5 Co 0.50000 0.83392 0.16608 1.00000
  V1 V 0.00000 0.00000 0.00000 1.00000
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