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Ho(Cu3Ge)4

Alexandria ALEX

Alex-ID: agm003589092 · Space group: Im-3 (#204)

Basic Information

Formula
Ho(Cu3Ge)4
Alex-ID
agm003589092
Elements
3
Sites
17
Space group
Im-3 (#204)
Crystal system
cubic
Volume
281.21
ų
Cell a
7.1485
Å
Cell b
7.1485
Å
Cell c
7.1485
Å
α angle
109.47
°
β angle
109.47
°
γ angle
109.47
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho(Cu3Ge)4
Ho
1.00 · 5.9%
Cu
12.00 · 70.6%
Ge
4.00 · 23.5%

Energy & Stability

Energy above hull
0.4921
eV/atom
Formation energy
0.3555
eV/atom
Corrected total energy
-66.9243
eV
Raw total energy
-66.9243
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.7319
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C12_14_spg204

Decomposition

Ho(CuGe)2 Ge Cu

Computed at

2022-04-04 00:25:56.088846

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: agm003589092).

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 agm003589092
data_agm003589092
_cell_length_a     7.14852
_cell_length_b     7.14852
_cell_length_c     7.14852
_cell_angle_alpha  109.47122
_cell_angle_beta   109.47122
_cell_angle_gamma  109.47122
_cell_volume       281.20667
_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 0.00000 0.00000 1.00000
  Cu1 Cu 0.85098 0.35434 0.20532 1.00000
  Cu2 Cu 0.35434 0.50337 0.14902 1.00000
  Cu3 Cu 0.79468 0.14902 0.64566 1.00000
  Cu4 Cu 0.35434 0.20532 0.85098 1.00000
  Cu5 Cu 0.20532 0.85098 0.35434 1.00000
  Cu6 Cu 0.64566 0.49663 0.85098 1.00000
  Cu7 Cu 0.50337 0.14902 0.35434 1.00000
  Cu8 Cu 0.49663 0.85098 0.64566 1.00000
  Cu9 Cu 0.64566 0.79468 0.14902 1.00000
  Cu10 Cu 0.85098 0.64566 0.49663 1.00000
  Cu11 Cu 0.14902 0.35434 0.50337 1.00000
  Cu12 Cu 0.14902 0.64566 0.79468 1.00000
  Ge1 Ge 0.00000 0.50000 0.00000 1.00000
  Ge2 Ge 0.50000 0.00000 0.00000 1.00000
  Ge3 Ge 0.50000 0.50000 0.50000 1.00000
  Ge4 Ge 0.00000 0.00000 0.50000 1.00000
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