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FeCo3Pt

Alexandria ALEX

Alex-ID: agm005804273 · Space group: P2_1/m (#11)

Basic Information

Formula
FeCo3Pt
Alex-ID
agm005804273
Elements
3
Sites
10
Space group
P2_1/m (#11)
Crystal system
monoclinic
Volume
122.29
ų
Cell a
3.6572
Å
Cell b
5.7549
Å
Cell c
12.8091
Å
α angle
26.98
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
FeCo3Pt
Fe
2.00 · 20.0%
Co
6.00 · 60.0%
Pt
2.00 · 20.0%

Energy & Stability

Energy above hull
0.0557
eV/atom
Formation energy
-0.0311
eV/atom
Corrected total energy
-72.1556
eV
Raw total energy
-72.1556
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0083
eV
DOS at Fermi level
9.5059
Total magnetisation
16.3776
μB

Additional Information

Prototype ID

ABC3_5292_spg6

Decomposition

FeCo Fe5CoPt6 Co

Computed at

2023-07-03 18:47:07.150396

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: agm005804273).

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 agm005804273
data_agm005804273
_cell_length_a     3.65716
_cell_length_b     5.75485
_cell_length_c     12.80912
_cell_angle_alpha  26.97627
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       122.29011
_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 0.75000 0.07724 0.54792 1.00000
  Fe2 Fe 0.25000 0.92276 0.45208 1.00000
  Co1 Co 0.75000 0.23523 0.74798 1.00000
  Co2 Co 0.25000 0.15646 0.64954 1.00000
  Co3 Co 0.75000 0.44922 0.95745 1.00000
  Co4 Co 0.25000 0.76477 0.25202 1.00000
  Co5 Co 0.25000 0.55078 0.04255 1.00000
  Co6 Co 0.75000 0.84354 0.35046 1.00000
  Pt1 Pt 0.75000 0.62119 0.16300 1.00000
  Pt2 Pt 0.25000 0.37881 0.83700 1.00000
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