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Ho4In(FeGe2)2

Alexandria ALEX

Alex-ID: agm020033007 · Space group: C2/m (#12)

Basic Information

Formula
Ho4In(FeGe2)2
Alex-ID
agm020033007
Elements
4
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
220.23
ų
Cell a
8.0552
Å
Cell b
8.0552
Å
Cell c
7.1287
Å
α angle
73.73
°
β angle
106.27
°
γ angle
150.17
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4In(FeGe2)2
Ho
4.00 · 36.4%
In
1.00 · 9.1%
Fe
2.00 · 18.2%
Ge
4.00 · 36.4%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.6486
eV/atom
Corrected total energy
-63.6131
eV
Raw total energy
-63.6131
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0003
eV
DOS at Fermi level
6.0105
Total magnetisation
4.2757
μB

Additional Information

Prototype ID

AB2C4D4_13_spg12

Decomposition

Ho4In(FeGe2)2

Computed at

2025-01-14 12:32:32

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: agm020033007).

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 agm020033007
data_agm020033007
_cell_length_a     8.05520
_cell_length_b     8.05520
_cell_length_c     7.12871
_cell_angle_alpha  73.73038
_cell_angle_beta   106.26962
_cell_angle_gamma  150.16600
_cell_volume       220.23198
_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 0.65497 0.34503 0.42755 1.00000
  Ho2 Ho 0.34503 0.65497 0.57245 1.00000
  Ho3 Ho 0.58257 0.41743 0.86953 1.00000
  Ho4 Ho 0.41743 0.58257 0.13047 1.00000
  In1 In 0.00000 0.00000 0.50000 1.00000
  Fe1 Fe 0.77441 0.22559 0.89830 1.00000
  Fe2 Fe 0.22559 0.77441 0.10170 1.00000
  Ge1 Ge 0.92986 0.07014 0.84856 1.00000
  Ge2 Ge 0.07014 0.92986 0.15144 1.00000
  Ge3 Ge 0.80300 0.19700 0.25573 1.00000
  Ge4 Ge 0.19700 0.80300 0.74427 1.00000
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