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Fe3Co4Ge

Alexandria ALEX

Alex-ID: agm017744564 · Space group: I4/mmm (#139)

Alexandria Database API

Basic Information

Formula
Fe3Co4Ge
Alex-ID
agm017744564
Elements
3
Sites
8
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
93.08
ų
Cell a
6.4194
Å
Cell b
6.4194
Å
Cell c
6.4194
Å
α angle
143.49
°
β angle
143.49
°
γ angle
52.59
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Fe3Co4Ge
Fe
3.00 · 37.5%
Co
4.00 · 50.0%
Ge
1.00 · 12.5%

Energy & Stability

Energy above hull
0.0071
eV/atom
Formation energy
-0.0964
eV/atom
Corrected total energy
-59.2718
eV
Raw total energy
-59.2718
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0001
eV
DOS at Fermi level
5.2007
Total magnetisation
14.5101
μB

Additional Information

Prototype ID

AB3C4_344_spg139

Decomposition

Fe3Co4Ge

Computed at

2025-02-04 12:28:03

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: agm017744564).

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 agm017744564
data_agm017744564
_cell_length_a     6.41940
_cell_length_b     6.41940
_cell_length_c     6.41940
_cell_angle_alpha  143.49036
_cell_angle_beta   143.49036
_cell_angle_gamma  52.59007
_cell_volume       93.08299
_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 0.00000 0.00000 0.00000 1.00000
  Fe2 Fe 0.74955 0.74955 0.00000 1.00000
  Fe3 Fe 0.25045 0.25045 0.00000 1.00000
  Co1 Co 0.87445 0.37445 0.50000 1.00000
  Co2 Co 0.12555 0.62555 0.50000 1.00000
  Co3 Co 0.62555 0.12555 0.50000 1.00000
  Co4 Co 0.37445 0.87445 0.50000 1.00000
  Ge1 Ge 0.50000 0.50000 0.00000 1.00000
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