Navigation

HEAS Data Platform · Materials Science Database

Ho2Mn3Ge

Alexandria ALEX

Alex-ID: agm002221981 · Space group: R-3m (#166)

Basic Information

Formula
Ho2Mn3Ge
Alex-ID
agm002221981
Elements
3
Sites
6
Space group
R-3m (#166)
Crystal system
trigonal
Volume
96.29
ų
Cell a
5.2177
Å
Cell b
5.2177
Å
Cell c
5.2177
Å
α angle
58.20
°
β angle
58.20
°
γ angle
58.20
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Mn3Ge
Ge
1.00 · 16.7%
Mn
3.00 · 50.0%
Ho
2.00 · 33.3%

Energy & Stability

Energy above hull
0.2363
eV/atom
Formation energy
-0.1234
eV/atom
Corrected total energy
-42.0237
eV
Raw total energy
-42.0237
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.5520
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_8_spg166

Decomposition

Ho2Mn17 Ho5Ge3 Mn

Computed at

2018-06-28 13:42:34

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: agm002221981).

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 agm002221981
data_agm002221981
_cell_length_a     5.21766
_cell_length_b     5.21766
_cell_length_c     5.21766
_cell_angle_alpha  58.19603
_cell_angle_beta   58.19603
_cell_angle_gamma  58.19603
_cell_volume       96.28958
_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 0.00000 0.00000 0.00000 1.00000
  Mn1 Mn 0.00000 0.00000 0.50000 1.00000
  Mn2 Mn 0.00000 0.50000 0.00000 1.00000
  Mn3 Mn 0.50000 0.00000 0.00000 1.00000
  Ho1 Ho 0.62061 0.62061 0.62061 1.00000
  Ho2 Ho 0.37939 0.37939 0.37939 1.00000
Get direct link