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Ho2Ni3Ge4

Alexandria ALEX

Alex-ID: agm003333883 · Space group: Cmce (#64)

Basic Information

Formula
Ho2Ni3Ge4
Alex-ID
agm003333883
Elements
3
Sites
18
Space group
Cmce (#64)
Crystal system
orthorhombic
Volume
291.83
ų
Cell a
5.5716
Å
Cell b
7.2445
Å
Cell c
7.7483
Å
α angle
90.00
°
β angle
111.07
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2Ni3Ge4
Ho
4.00 · 22.2%
Ni
6.00 · 33.3%
Ge
8.00 · 44.4%

Energy & Stability

Energy above hull
0.0632
eV/atom
Formation energy
-0.6284
eV/atom
Corrected total energy
-101.2667
eV
Raw total energy
-101.2667
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0237
eV
DOS at Fermi level
10.7188
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C4_75_spg64

Decomposition

Ho(NiGe)2 HoNiGe2

Computed at

2022-01-29 23:16:39.037503

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: agm003333883).

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 agm003333883
data_agm003333883
_cell_length_a     5.57156
_cell_length_b     7.24449
_cell_length_c     7.74834
_cell_angle_alpha  90.00000
_cell_angle_beta   111.07147
_cell_angle_gamma  90.00000
_cell_volume       291.83431
_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 0.11059 0.59332 0.22118 1.00000
  Ho2 Ho 0.88941 0.40668 0.77882 1.00000
  Ho3 Ho 0.38941 0.09332 0.77882 1.00000
  Ho4 Ho 0.61059 0.90668 0.22118 1.00000
  Ni1 Ni 0.00000 0.00000 0.00000 1.00000
  Ni2 Ni 0.50000 0.50000 0.00000 1.00000
  Ni3 Ni 0.52444 0.75000 0.54887 1.00000
  Ni4 Ni 0.97556 0.25000 0.45113 1.00000
  Ni5 Ni 0.47556 0.25000 0.45113 1.00000
  Ni6 Ni 0.02444 0.75000 0.54887 1.00000
  Ge1 Ge 0.69156 0.75000 0.88313 1.00000
  Ge2 Ge 0.80844 0.25000 0.11687 1.00000
  Ge3 Ge 0.30844 0.25000 0.11687 1.00000
  Ge4 Ge 0.19156 0.75000 0.88313 1.00000
  Ge5 Ge 0.18361 0.97449 0.36722 1.00000
  Ge6 Ge 0.81639 0.02551 0.63278 1.00000
  Ge7 Ge 0.31639 0.47449 0.63278 1.00000
  Ge8 Ge 0.68361 0.52551 0.36722 1.00000
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