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Fe2Co2Pt

Alexandria ALEX

Alex-ID: agm044342000 · Space group: I4/mmm (#139)

Basic Information

Formula
Fe2Co2Pt
Alex-ID
agm044342000
Elements
3
Sites
5
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
62.15
ų
Cell a
8.3907
Å
Cell b
8.3907
Å
Cell c
8.3907
Å
α angle
161.07
°
β angle
161.07
°
γ angle
26.90
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Fe2Co2Pt
Fe
2.00 · 40.0%
Co
2.00 · 40.0%
Pt
1.00 · 20.0%

Energy & Stability

Energy above hull
0.0568
eV/atom
Formation energy
-0.0494
eV/atom
Corrected total energy
-37.5081
eV
Raw total energy
-37.5081
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.2079
Total magnetisation
9.3357
μB

Additional Information

Prototype ID

AB2C2_417_spg65

Decomposition

FeCo Fe5CoPt6 Co

Computed at

2025-04-15 00:37:18

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: agm044342000).

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 agm044342000
data_agm044342000
_cell_length_a     8.39066
_cell_length_b     8.39066
_cell_length_c     8.39066
_cell_angle_alpha  161.07019
_cell_angle_beta   161.07019
_cell_angle_gamma  26.89546
_cell_volume       62.14525
_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
  Fe1 Fe 0.61414 0.61414 0.00000 1.00000
  Fe2 Fe 0.38586 0.38586 0.00000 1.00000
  Co1 Co 0.79549 0.79549 0.00000 1.00000
  Co2 Co 0.20451 0.20451 0.00000 1.00000
  Pt1 Pt 0.00000 0.00000 0.00000 1.00000
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