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Ho3Cu2Ge7

Alexandria ALEX

Alex-ID: agm002335233 · Space group: P2/m (#10)

Basic Information

Formula
Ho3Cu2Ge7
Alex-ID
agm002335233
Elements
3
Sites
12
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
230.13
ų
Cell a
4.1118
Å
Cell b
4.3417
Å
Cell c
13.0583
Å
α angle
80.82
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho3Cu2Ge7
Ge
7.00 · 58.3%
Ho
3.00 · 25.0%
Cu
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0870
eV/atom
Formation energy
-0.4256
eV/atom
Corrected total energy
-59.4848
eV
Raw total energy
-59.4848
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.7171
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C7_13_spg10

Decomposition

Ho3Ge5 Ho3(CuGe)4 Ge

Computed at

2019-02-26 07:34:37

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: agm002335233).

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 agm002335233
data_agm002335233
_cell_length_a     4.11177
_cell_length_b     4.34172
_cell_length_c     13.05826
_cell_angle_alpha  80.81511
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       230.12943
_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
  Ge1 Ge 0.50000 0.72457 0.54926 1.00000
  Ge2 Ge 0.50000 0.27548 0.45077 1.00000
  Ge3 Ge 0.00000 0.52301 0.82779 1.00000
  Ge4 Ge 0.00000 0.00002 0.99977 1.00000
  Ge5 Ge 0.00000 0.47776 0.17230 1.00000
  Ge6 Ge 0.50000 0.90606 0.17483 1.00000
  Ge7 Ge 0.50000 0.09374 0.82517 1.00000
  Ho1 Ho 0.50000 0.49985 0.00006 1.00000
  Ho2 Ho 0.00000 0.18081 0.63223 1.00000
  Ho3 Ho 0.00000 0.81922 0.36778 1.00000
  Cu1 Cu 0.50000 0.65670 0.73098 1.00000
  Cu2 Cu 0.50000 0.34278 0.26905 1.00000
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