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Ga(FeCo)3

Alexandria ALEX

Alex-ID: agm005992045 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula
Ga(FeCo)3
Alex-ID
agm005992045
Elements
3
Sites
14
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
175.37
ų
Cell a
5.6543
Å
Cell b
5.6543
Å
Cell c
5.4856
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.45
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ga(FeCo)3
Ga
2.00 · 14.3%
Fe
6.00 · 42.9%
Co
6.00 · 42.9%

Energy & Stability

Energy above hull
0.1887
eV/atom
Formation energy
0.0413
eV/atom
Corrected total energy
-98.9997
eV
Raw total energy
-98.9997
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0015
eV
DOS at Fermi level
8.2989
Total magnetisation
25.0340
μB

Additional Information

Prototype ID

AB3C3_610_spg65

Decomposition

Fe2Co GaFeCo2

Computed at

2023-08-04 22:42:46.859919

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: agm005992045).

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 agm005992045
data_agm005992045
_cell_length_a     5.65431
_cell_length_b     5.65431
_cell_length_c     5.48557
_cell_angle_alpha  89.99983
_cell_angle_beta   89.99983
_cell_angle_gamma  90.44651
_cell_volume       175.37481
_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
  Ga1 Ga 0.27617 0.27617 0.99999 1.00000
  Ga2 Ga 0.72383 0.72383 0.00001 1.00000
  Fe1 Fe 0.25976 0.25976 0.50000 1.00000
  Fe2 Fe 0.26675 0.73325 0.50000 1.00000
  Fe3 Fe 0.73325 0.26675 0.50000 1.00000
  Fe4 Fe 0.25085 0.74915 1.00000 1.00000
  Fe5 Fe 0.74915 0.25085 0.00000 1.00000
  Fe6 Fe 0.74024 0.74024 0.50000 1.00000
  Co1 Co 0.99999 0.99999 0.74433 1.00000
  Co2 Co 0.50000 0.00000 0.25437 1.00000
  Co3 Co 0.00000 0.50000 0.25437 1.00000
  Co4 Co 0.50000 1.00000 0.74563 1.00000
  Co5 Co 1.00000 0.50000 0.74563 1.00000
  Co6 Co 0.00001 0.00001 0.25567 1.00000
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