Navigation

HEAS Data Platform · Materials Science Database

Ho2Ge4Mo3

Alexandria ALEX

Alex-ID: agm005676633 · Space group: P2_1/c (#14)

Basic Information

Formula
Ho2Ge4Mo3
Alex-ID
agm005676633
Elements
3
Sites
18
Space group
P2_1/c (#14)
Crystal system
monoclinic
Volume
320.51
ų
Cell a
6.9020
Å
Cell b
6.9832
Å
Cell c
7.0462
Å
α angle
90.00
°
β angle
90.00
°
γ angle
109.31
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Ge4Mo3
Ho
4.00 · 22.2%
Ge
8.00 · 44.4%
Mo
6.00 · 33.3%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.5370
eV/atom
Corrected total energy
-129.9059
eV
Raw total energy
-129.9059
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0115
eV
DOS at Fermi level
8.7648
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C4_99_spg14

Decomposition

Ho2Ge4Mo3

Computed at

2023-06-30 20:01:02.726234

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: agm005676633).

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 agm005676633
data_agm005676633
_cell_length_a     6.90199
_cell_length_b     6.98317
_cell_length_c     7.04618
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  109.30788
_cell_volume       320.50885
_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 0.55633 0.19051 0.32802 1.00000
  Ho2 Ho 0.94367 0.80949 0.82802 1.00000
  Ho3 Ho 0.44367 0.80949 0.67198 1.00000
  Ho4 Ho 0.05633 0.19051 0.17198 1.00000
  Ge1 Ge 0.85793 0.09155 0.54643 1.00000
  Ge2 Ge 0.64207 0.90845 0.04643 1.00000
  Ge3 Ge 0.14207 0.90845 0.45357 1.00000
  Ge4 Ge 0.35793 0.09155 0.95357 1.00000
  Ge5 Ge 0.86740 0.50399 0.13680 1.00000
  Ge6 Ge 0.63260 0.49601 0.63680 1.00000
  Ge7 Ge 0.13260 0.49601 0.86320 1.00000
  Ge8 Ge 0.36740 0.50399 0.36320 1.00000
  Mo1 Mo 0.00000 0.50000 0.50000 1.00000
  Mo2 Mo 0.50000 0.50000 0.00000 1.00000
  Mo3 Mo 0.74744 0.24852 0.84209 1.00000
  Mo4 Mo 0.75256 0.75148 0.34209 1.00000
  Mo5 Mo 0.25256 0.75148 0.15791 1.00000
  Mo6 Mo 0.24744 0.24852 0.65791 1.00000
Get direct link