Navigation

HEAS Data Platform · Materials Science Database

Co4Ni10Pt

Alexandria ALEX

Alex-ID: agm005995580 · Space group: I4/m (#87)

Basic Information

Formula
Co4Ni10Pt
Alex-ID
agm005995580
Elements
3
Sites
15
Space group
I4/m (#87)
Crystal system
tetragonal
Volume
187.26
ų
Cell a
6.8191
Å
Cell b
6.2519
Å
Cell c
6.2519
Å
α angle
72.70
°
β angle
56.95
°
γ angle
56.95
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Co4Ni10Pt
Co
4.00 · 26.7%
Ni
10.00 · 66.7%
Pt
1.00 · 6.7%

Energy & Stability

Energy above hull
0.4052
eV/atom
Formation energy
0.3811
eV/atom
Corrected total energy
-86.7059
eV
Raw total energy
-86.7059
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0005
eV
DOS at Fermi level
21.7990
Total magnetisation
14.7902
μB

Additional Information

Prototype ID

AB4C10_67_spg87

Decomposition

CoNi3 Ni3Pt Co3Pt

Computed at

2023-08-08 05:17:57.498480

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: agm005995580).

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 agm005995580
data_agm005995580
_cell_length_a     6.81907
_cell_length_b     6.25191
_cell_length_c     6.25191
_cell_angle_alpha  72.69750
_cell_angle_beta   56.95079
_cell_angle_gamma  56.95079
_cell_volume       187.26166
_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 0.33111 0.79807 0.53971 1.00000
  Co2 Co 0.87082 0.46029 0.79807 1.00000
  Co3 Co 0.12918 0.53971 0.20193 1.00000
  Co4 Co 0.66889 0.20193 0.46029 1.00000
  Ni1 Ni 0.25000 0.50000 0.50000 1.00000
  Ni2 Ni 0.58134 0.30281 0.89593 1.00000
  Ni3 Ni 0.11585 0.10407 0.30281 1.00000
  Ni4 Ni 0.52274 0.89593 0.69719 1.00000
  Ni5 Ni 0.78007 0.69719 0.10407 1.00000
  Ni6 Ni 0.41866 0.69719 0.10407 1.00000
  Ni7 Ni 0.75000 0.50000 0.50000 1.00000
  Ni8 Ni 0.21993 0.30281 0.89593 1.00000
  Ni9 Ni 0.47726 0.10407 0.30281 1.00000
  Ni10 Ni 0.88415 0.89593 0.69719 1.00000
  Pt1 Pt 0.00000 0.00000 0.00000 1.00000
Get direct link