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Co4Ni2Pt5

Alexandria ALEX

Alex-ID: agm005671252 · Space group: C2/m (#12)

Basic Information

Formula
Co4Ni2Pt5
Alex-ID
agm005671252
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
155.54
ų
Cell a
5.2903
Å
Cell b
8.6505
Å
Cell c
6.5853
Å
α angle
143.14
°
β angle
90.00
°
γ angle
107.81
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co4Ni2Pt5
Co
4.00 · 36.4%
Ni
2.00 · 18.2%
Pt
5.00 · 45.5%

Energy & Stability

Energy above hull
0.2134
eV/atom
Formation energy
0.1276
eV/atom
Corrected total energy
-69.0989
eV
Raw total energy
-69.0989
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0025
eV
DOS at Fermi level
14.1616
Total magnetisation
10.9875
μB

Additional Information

Prototype ID

A2B4C5_450_spg12

Decomposition

CoNiPt2 Co3Pt CoPt2

Computed at

2023-06-21 12:10:24.469207

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: agm005671252).

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 agm005671252
data_agm005671252
_cell_length_a     5.29031
_cell_length_b     8.65049
_cell_length_c     6.58535
_cell_angle_alpha  143.13794
_cell_angle_beta   90.00011
_cell_angle_gamma  107.80507
_cell_volume       155.53938
_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 0.59357 0.18714 0.33267 1.00000
  Co2 Co 0.40643 0.81286 0.66733 1.00000
  Co3 Co 0.78883 0.57766 0.09305 1.00000
  Co4 Co 0.21117 0.42234 0.90695 1.00000
  Ni1 Ni 0.90887 0.81775 0.66791 1.00000
  Ni2 Ni 0.09113 0.18225 0.33209 1.00000
  Pt1 Pt 0.59289 0.68599 0.87593 1.00000
  Pt2 Pt 0.40711 0.31401 0.12407 1.00000
  Pt3 Pt 0.50000 0.00000 0.50000 1.00000
  Pt4 Pt 0.09310 0.68599 0.87593 1.00000
  Pt5 Pt 0.90690 0.31401 0.12407 1.00000
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