Navigation

HEAS Data Platform · Materials Science Database

Co2Ni4Pt

Alexandria ALEX

Alex-ID: agm023601889 · Space group: C2/m (#12)

Basic Information

Formula
Co2Ni4Pt
Alex-ID
agm023601889
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
81.69
ų
Cell a
4.3902
Å
Cell b
4.3902
Å
Cell c
5.7179
Å
α angle
82.52
°
β angle
97.48
°
γ angle
131.50
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co2Ni4Pt
Co
2.00 · 28.6%
Ni
4.00 · 57.1%
Pt
1.00 · 14.3%

Energy & Stability

Energy above hull
0.0111
eV/atom
Formation energy
-0.0317
eV/atom
Corrected total energy
-43.6932
eV
Raw total energy
-43.6932
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0025
eV
DOS at Fermi level
7.4499
Total magnetisation
6.5282
μB

Additional Information

Prototype ID

AB2C4_190_spg87

Decomposition

CoNi3 Ni3Pt Co3Pt

Computed at

2025-06-11 07:15:40

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: agm023601889).

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 agm023601889
data_agm023601889
_cell_length_a     4.39023
_cell_length_b     4.39023
_cell_length_c     5.71793
_cell_angle_alpha  82.51500
_cell_angle_beta   97.48500
_cell_angle_gamma  131.50475
_cell_volume       81.68824
_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 0.85327 0.14673 0.06386 1.00000
  Co2 Co 0.14673 0.85327 0.93614 1.00000
  Ni1 Ni 0.28514 0.71486 0.34622 1.00000
  Ni2 Ni 0.71486 0.28514 0.65378 1.00000
  Ni3 Ni 0.42659 0.57341 0.79573 1.00000
  Ni4 Ni 0.57341 0.42659 0.20427 1.00000
  Pt1 Pt 0.00000 0.00000 0.50000 1.00000
Get direct link