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CoNi5

Alexandria ALEX

Alex-ID: agm017189872 · Space group: P2/m (#10)

Alexandria Database API

Basic Information

Formula
CoNi5
Alex-ID
agm017189872
Elements
2
Sites
12
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
130.53
ų
Cell a
4.3079
Å
Cell b
4.9758
Å
Cell c
6.0894
Å
α angle
90.00
°
β angle
90.03
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CoNi5
Co
2.00 · 16.7%
Ni
10.00 · 83.3%

Energy & Stability

Energy above hull
0.0088
eV/atom
Formation energy
0.0035
eV/atom
Corrected total energy
-72.0441
eV
Raw total energy
-72.0441
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0024
eV
DOS at Fermi level
16.7178
Total magnetisation
9.7653
μB

Additional Information

Prototype ID

AB5_1810_spg10

Decomposition

CoNi3 Ni

Computed at

2025-04-13 18:35:27

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: agm017189872).

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 agm017189872
data_agm017189872
_cell_length_a     4.30787
_cell_length_b     4.97583
_cell_length_c     6.08943
_cell_angle_alpha  90.00000
_cell_angle_beta   90.02884
_cell_angle_gamma  90.00000
_cell_volume       130.52814
_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 0.33647 0.00000 0.83532 1.00000
  Co2 Co 0.66353 0.00000 0.16468 1.00000
  Ni1 Ni 0.83403 0.75144 0.83400 1.00000
  Ni2 Ni 0.50000 0.24928 0.50000 1.00000
  Ni3 Ni 0.16597 0.24856 0.16600 1.00000
  Ni4 Ni 0.83403 0.24856 0.83400 1.00000
  Ni5 Ni 0.16597 0.75144 0.16600 1.00000
  Ni6 Ni 0.50000 0.75072 0.50000 1.00000
  Ni7 Ni 0.00000 0.00000 0.50000 1.00000
  Ni8 Ni 0.00000 0.50000 0.50000 1.00000
  Ni9 Ni 0.33289 0.50000 0.83410 1.00000
  Ni10 Ni 0.66711 0.50000 0.16590 1.00000
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