Navigation

HEAS Data Platform · Materials Science Database

Ho4Ni2Ru

Alexandria ALEX

Alex-ID: agm005991213 · Space group: C2/m (#12)

Basic Information

Formula
Ho4Ni2Ru
Alex-ID
agm005991213
Elements
3
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
153.76
ų
Cell a
4.3026
Å
Cell b
5.7504
Å
Cell c
7.0487
Å
α angle
80.48
°
β angle
72.23
°
γ angle
68.03
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho4Ni2Ru
Ho
4.00 · 57.1%
Ni
2.00 · 28.6%
Ru
1.00 · 14.3%

Energy & Stability

Energy above hull
0.0922
eV/atom
Formation energy
-0.3430
eV/atom
Corrected total energy
-41.5587
eV
Raw total energy
-41.5587
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0272
eV
DOS at Fermi level
4.6389
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_919_spg12

Decomposition

Ho2Ru HoNi

Computed at

2023-10-14 00:22:32

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: agm005991213).

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 agm005991213
data_agm005991213
_cell_length_a     4.30260
_cell_length_b     5.75043
_cell_length_c     7.04871
_cell_angle_alpha  80.47509
_cell_angle_beta   72.22950
_cell_angle_gamma  68.03060
_cell_volume       153.75693
_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 0.08409 0.20763 0.62420 1.00000
  Ho2 Ho 0.91591 0.79237 0.37580 1.00000
  Ho3 Ho 0.31213 0.28829 0.08745 1.00000
  Ho4 Ho 0.68787 0.71171 0.91255 1.00000
  Ni1 Ni 0.36067 0.63193 0.64672 1.00000
  Ni2 Ni 0.63933 0.36807 0.35328 1.00000
  Ru1 Ru 0.00000 0.00000 0.00000 1.00000
Get direct link