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FeCo(CuPt2)2

Alexandria ALEX

Alex-ID: agm033774764 · Space group: P4/mmm (#123)

Alexandria Database API

Basic Information

Formula
FeCo(CuPt2)2
Alex-ID
agm033774764
Elements
4
Sites
8
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
110.91
ų
Cell a
3.8972
Å
Cell b
3.8972
Å
Cell c
7.3023
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
FeCo(CuPt2)2
Fe
1.00 · 12.5%
Co
1.00 · 12.5%
Cu
2.00 · 25.0%
Pt
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0054
eV/atom
Formation energy
-0.1540
eV/atom
Corrected total energy
-49.4907
eV
Raw total energy
-49.4907
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0033
eV
DOS at Fermi level
4.8498
Total magnetisation
6.3303
μB

Additional Information

Prototype ID

ABC2D4_467_spg10

Decomposition

FeCoPt4 FeCuPt2 Co3Pt CuPt

Computed at

2025-01-17 22:35:13

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: agm033774764).

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 agm033774764
data_agm033774764
_cell_length_a     3.89716
_cell_length_b     3.89716
_cell_length_c     7.30227
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       110.90569
_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 0.00000 0.00000 0.50000 1.00000
  Co1 Co 0.50000 0.50000 0.50000 1.00000
  Cu1 Cu 0.00000 0.00000 0.00000 1.00000
  Cu2 Cu 0.50000 0.50000 0.00000 1.00000
  Pt1 Pt 0.00000 0.50000 0.25379 1.00000
  Pt2 Pt 0.00000 0.50000 0.74621 1.00000
  Pt3 Pt 0.50000 0.00000 0.25379 1.00000
  Pt4 Pt 0.50000 0.00000 0.74621 1.00000
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