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Co5Ni2

Alexandria ALEX

Alex-ID: agm044491839 · Space group: R3m (#160)

Basic Information

Formula
Co5Ni2
Alex-ID
agm044491839
Elements
2
Sites
7
Space group
R3m (#160)
Crystal system
trigonal
Volume
76.98
ų
Cell a
14.1845
Å
Cell b
14.1845
Å
Cell c
14.1845
Å
α angle
10.15
°
β angle
10.15
°
γ angle
10.15
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co5Ni2
Co
5.00 · 71.4%
Ni
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0494
eV/atom
Formation energy
0.0367
eV/atom
Corrected total energy
-46.9298
eV
Raw total energy
-46.9298
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.1938
Total magnetisation
10.5019
μB

Additional Information

Prototype ID

A2B5_21_spg166

Decomposition

CoNi3 Co3Ni

Computed at

2025-06-11 11:17:24

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: agm044491839).

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 agm044491839
data_agm044491839
_cell_length_a     14.18452
_cell_length_b     14.18452
_cell_length_c     14.18452
_cell_angle_alpha  10.15179
_cell_angle_beta   10.15179
_cell_angle_gamma  10.15179
_cell_volume       76.98378
_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
  Co1 Co 0.14168 0.14168 0.14168 1.00000
  Co2 Co 0.66658 0.66658 0.66658 1.00000
  Co3 Co 0.23719 0.23719 0.23719 1.00000
  Co4 Co 0.76152 0.76152 0.76152 1.00000
  Co5 Co 0.04659 0.04659 0.04659 1.00000
  Ni1 Ni 0.85626 0.85626 0.85626 1.00000
  Ni2 Ni 0.95179 0.95179 0.95179 1.00000
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