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Ho2Fe3Ge4Ru

Alexandria ALEX

Alex-ID: agm034454638 · Space group: P-4m2 (#115)

Basic Information

Formula
Ho2Fe3Ge4Ru
Alex-ID
agm034454638
Elements
4
Sites
10
Space group
P-4m2 (#115)
Crystal system
tetragonal
Volume
164.88
ų
Cell a
4.0188
Å
Cell b
4.0188
Å
Cell c
10.2084
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Fe3Ge4Ru
Ho
2.00 · 20.0%
Fe
3.00 · 30.0%
Ge
4.00 · 40.0%
Ru
1.00 · 10.0%

Energy & Stability

Energy above hull
0.0202
eV/atom
Formation energy
-0.4930
eV/atom
Corrected total energy
-67.2200
eV
Raw total energy
-67.2200
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.5183
Total magnetisation
2.7360
μB

Additional Information

Prototype ID

AB2C3D4_78_spg6

Decomposition

Ho3(Ge2Ru)2 Ho2Fe2Ge5Ru Ho(Fe2Ge)2 Ho2Ge5Ru3

Computed at

2025-02-23 07:11:20

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: agm034454638).

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 agm034454638
data_agm034454638
_cell_length_a     4.01883
_cell_length_b     4.01883
_cell_length_c     10.20837
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       164.87504
_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
  Ho1 Ho 0.00000 0.50000 0.74014 1.00000
  Ho2 Ho 0.50000 0.00000 0.25986 1.00000
  Fe1 Fe 0.50000 0.50000 0.50000 1.00000
  Fe2 Fe 0.50000 0.50000 0.00000 1.00000
  Fe3 Fe 0.00000 0.00000 0.50000 1.00000
  Ge1 Ge 0.50000 0.00000 0.86806 1.00000
  Ge2 Ge 0.00000 0.50000 0.38328 1.00000
  Ge3 Ge 0.00000 0.50000 0.13194 1.00000
  Ge4 Ge 0.50000 0.00000 0.61672 1.00000
  Ru1 Ru 0.00000 0.00000 0.00000 1.00000
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