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Fe8Co

Alexandria ALEX

Alex-ID: agm017624201 · Space group: Fmmm (#69)

Basic Information

Formula
Fe8Co
Alex-ID
agm017624201
Elements
2
Sites
9
Space group
Fmmm (#69)
Crystal system
orthorhombic
Volume
103.54
ų
Cell a
7.3912
Å
Cell b
6.3497
Å
Cell c
4.7291
Å
α angle
82.29
°
β angle
58.36
°
γ angle
39.35
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Fe8Co
Fe
8.00 · 88.9%
Co
1.00 · 11.1%

Energy & Stability

Energy above hull
0.0057
eV/atom
Formation energy
-0.0129
eV/atom
Corrected total energy
-74.9416
eV
Raw total energy
-74.9416
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0028
eV
DOS at Fermi level
6.9289
Total magnetisation
20.8438
μB

Additional Information

Prototype ID

AB8_23_spg71

Decomposition

Fe4Co Fe

Computed at

2025-01-20 17:22:41

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: agm017624201).

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 agm017624201
data_agm017624201
_cell_length_a     7.39119
_cell_length_b     6.34973
_cell_length_c     4.72909
_cell_angle_alpha  82.29329
_cell_angle_beta   58.35719
_cell_angle_gamma  39.34951
_cell_volume       103.53583
_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 0.66718 0.66718 0.33282 1.00000
  Fe2 Fe 0.33282 0.33282 0.66718 1.00000
  Fe3 Fe 0.00006 0.33221 0.66779 1.00000
  Fe4 Fe 0.66779 0.99994 0.00006 1.00000
  Fe5 Fe 0.33221 0.00006 0.99994 1.00000
  Fe6 Fe 0.66480 0.33520 0.66480 1.00000
  Fe7 Fe 0.33520 0.66480 0.33520 1.00000
  Fe8 Fe 0.99994 0.66779 0.33221 1.00000
  Co1 Co 0.00000 0.00000 0.00000 1.00000
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