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Ho2CoRu2

Alexandria ALEX

Alex-ID: agm002333166 · Space group: Immm (#71)

Basic Information

Formula
Ho2CoRu2
Alex-ID
agm002333166
Elements
3
Sites
5
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
96.18
ų
Cell a
4.2904
Å
Cell b
5.4900
Å
Cell c
5.4900
Å
α angle
56.04
°
β angle
67.00
°
γ angle
67.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho2CoRu2
Ru
2.00 · 40.0%
Co
1.00 · 20.0%
Ho
2.00 · 40.0%

Energy & Stability

Energy above hull
0.0681
eV/atom
Formation energy
-0.2495
eV/atom
Corrected total energy
-36.0802
eV
Raw total energy
-36.0802
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0003
eV
DOS at Fermi level
3.6701
Total magnetisation
1.4157
μB

Additional Information

Prototype ID

AB2C2_47_spg71

Decomposition

HoCo2 Ho4Ru3 HoRu2

Computed at

2019-01-31 07:54:37

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: agm002333166).

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 agm002333166
data_agm002333166
_cell_length_a     4.29038
_cell_length_b     5.49000
_cell_length_c     5.49000
_cell_angle_alpha  56.04237
_cell_angle_beta   66.99936
_cell_angle_gamma  66.99936
_cell_volume       96.17931
_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
  Ru1 Ru 0.50000 0.25842 0.74158 1.00000
  Ru2 Ru 0.50000 0.74159 0.25841 1.00000
  Co1 Co 0.00000 1.00000 0.00000 1.00000
  Ho1 Ho 0.80481 0.69519 0.69519 1.00000
  Ho2 Ho 0.19519 0.30481 0.30481 1.00000
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