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Co5Ni2

Alexandria ALEX

Alex-ID: agm009145347 · Space group: C2/m (#12)

Basic Information

Formula
Co5Ni2
Alex-ID
agm009145347
Elements
2
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
76.27
ų
Cell a
4.3050
Å
Cell b
4.3050
Å
Cell c
7.5373
Å
α angle
83.87
°
β angle
83.87
°
γ angle
33.33
°

Composition

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

Energy & Stability

Energy above hull
0.0328
eV/atom
Formation energy
0.0201
eV/atom
Corrected total energy
-47.0457
eV
Raw total energy
-47.0457
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0019
eV
DOS at Fermi level
8.1538
Total magnetisation
9.5848
μB

Additional Information

Prototype ID

A2B5_190_spg2

Decomposition

CoNi3 Co3Ni

Computed at

2024-05-03 17:19:36.215918

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: agm009145347).

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 agm009145347
data_agm009145347
_cell_length_a     4.30498
_cell_length_b     4.30498
_cell_length_c     7.53733
_cell_angle_alpha  83.87058
_cell_angle_beta   83.87058
_cell_angle_gamma  33.32780
_cell_volume       76.27048
_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 0.14346 0.14346 0.42823 1.00000
  Co2 Co 0.00000 0.00000 0.00000 1.00000
  Co3 Co 0.85654 0.85654 0.57177 1.00000
  Co4 Co 0.28614 0.28614 0.85771 1.00000
  Co5 Co 0.71386 0.71386 0.14229 1.00000
  Ni1 Ni 0.42888 0.42888 0.28518 1.00000
  Ni2 Ni 0.57112 0.57112 0.71482 1.00000
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