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FeCo

Alexandria ALEX

Alex-ID: agm005490533 · Space group: Amm2 (#38)

Basic Information

Formula
FeCo
Alex-ID
agm005490533
Elements
2
Sites
8
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
91.73
ų
Cell a
4.9316
Å
Cell b
4.9316
Å
Cell c
3.9958
Å
α angle
90.00
°
β angle
90.00
°
γ angle
109.29
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
FeCo
Fe
4.00 · 50.0%
Co
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0376
eV/atom
Formation energy
-0.0110
eV/atom
Corrected total energy
-62.4338
eV
Raw total energy
-62.4338
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0023
eV
DOS at Fermi level
6.5983
Total magnetisation
17.7640
μB

Additional Information

Prototype ID

AB_214_spg66

Decomposition

FeCo

Computed at

2023-03-18 21:55:41.311234

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: agm005490533).

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 agm005490533
data_agm005490533
_cell_length_a     4.93158
_cell_length_b     4.93158
_cell_length_c     3.99583
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  109.28708
_cell_volume       91.72606
_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 0.50233 0.50233 0.00000 1.00000
  Fe2 Fe 0.24794 0.24794 0.50000 1.00000
  Fe3 Fe 0.24758 0.74945 0.50000 1.00000
  Fe4 Fe 0.74945 0.24758 0.50000 1.00000
  Co1 Co 0.00388 0.00388 0.00000 1.00000
  Co2 Co 0.74634 0.74634 0.50000 1.00000
  Co3 Co 0.50283 0.99965 0.00000 1.00000
  Co4 Co 0.99965 0.50283 0.00000 1.00000
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