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Ho5Ge5Ir2

Alexandria ALEX

Alex-ID: agm005665225 · Space group: C2/m (#12)

Basic Information

Formula
Ho5Ge5Ir2
Alex-ID
agm005665225
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
260.12
ų
Cell a
4.2162
Å
Cell b
7.8276
Å
Cell c
8.4617
Å
α angle
88.90
°
β angle
75.57
°
γ angle
74.38
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho5Ge5Ir2
Ho
5.00 · 41.7%
Ge
5.00 · 41.7%
Ir
2.00 · 16.7%

Energy & Stability

Energy above hull
0.1132
eV/atom
Formation energy
-0.8006
eV/atom
Corrected total energy
-73.3086
eV
Raw total energy
-73.3086
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.3956
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B5C5_26_spg12

Decomposition

Ho2Ge2Ir HoGe

Computed at

2023-06-18 23:40:11.135581

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: agm005665225).

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 agm005665225
data_agm005665225
_cell_length_a     4.21624
_cell_length_b     7.82762
_cell_length_c     8.46167
_cell_angle_alpha  88.90259
_cell_angle_beta   75.57352
_cell_angle_gamma  74.37629
_cell_volume       260.11841
_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 0.50000 1.00000
  Ho2 Ho 0.69746 0.68477 0.92032 1.00000
  Ho3 Ho 0.37085 0.93402 0.32428 1.00000
  Ho4 Ho 0.62915 0.06598 0.67572 1.00000
  Ho5 Ho 0.30254 0.31523 0.07968 1.00000
  Ge1 Ge 0.72245 0.21810 0.33701 1.00000
  Ge2 Ge 0.95289 0.29320 0.80103 1.00000
  Ge3 Ge 0.04711 0.70680 0.19897 1.00000
  Ge4 Ge 0.27755 0.78190 0.66299 1.00000
  Ge5 Ge 0.00000 0.00000 0.00000 1.00000
  Ir1 Ir 0.38797 0.46755 0.75652 1.00000
  Ir2 Ir 0.61203 0.53245 0.24348 1.00000
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