Navigation

HEAS Data Platform · Materials Science Database

Fe2Co5

Alexandria ALEX

Alex-ID: agm007766740 · Space group: C2/c (#15)

Basic Information

Formula
Fe2Co5
Alex-ID
agm007766740
Elements
2
Sites
14
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
155.89
ų
Cell a
5.9936
Å
Cell b
5.9936
Å
Cell c
6.5048
Å
α angle
86.86
°
β angle
86.86
°
γ angle
41.93
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Fe2Co5
Fe
4.00 · 28.6%
Co
10.00 · 71.4%

Energy & Stability

Energy above hull
0.0749
eV/atom
Formation energy
0.0472
eV/atom
Corrected total energy
-104.4278
eV
Raw total energy
-104.4278
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0008
eV
DOS at Fermi level
14.6870
Total magnetisation
25.8457
μB

Additional Information

Prototype ID

A2B5_133_spg15

Decomposition

FeCo Co

Computed at

2024-03-20 20:32:40

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: agm007766740).

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 agm007766740
data_agm007766740
_cell_length_a     5.99363
_cell_length_b     5.99363
_cell_length_c     6.50481
_cell_angle_alpha  86.85509
_cell_angle_beta   86.85509
_cell_angle_gamma  41.93354
_cell_volume       155.88835
_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 0.39765 0.75061 0.39311 1.00000
  Fe2 Fe 0.24939 0.60235 0.10689 1.00000
  Fe3 Fe 0.60235 0.24939 0.60689 1.00000
  Fe4 Fe 0.75061 0.39765 0.89311 1.00000
  Co1 Co 0.02385 0.68350 0.46569 1.00000
  Co2 Co 0.31650 0.97615 0.03431 1.00000
  Co3 Co 0.54271 0.88537 0.67980 1.00000
  Co4 Co 0.11463 0.45729 0.82020 1.00000
  Co5 Co 0.45729 0.11463 0.32020 1.00000
  Co6 Co 0.88537 0.54271 0.17980 1.00000
  Co7 Co 0.68350 0.02385 0.96569 1.00000
  Co8 Co 0.97615 0.31650 0.53431 1.00000
  Co9 Co 0.82545 0.17455 0.25000 1.00000
  Co10 Co 0.17455 0.82545 0.75000 1.00000
Get direct link