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Ho6Co2Ru

Alexandria ALEX

Alex-ID: agm005642687 · Space group: Immm (#71)

Basic Information

Formula
Ho6Co2Ru
Alex-ID
agm005642687
Elements
3
Sites
18
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
411.18
ų
Cell a
8.1145
Å
Cell b
8.1145
Å
Cell c
8.1145
Å
α angle
108.30
°
β angle
110.12
°
γ angle
110.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho6Co2Ru
Ho
12.00 · 66.7%
Co
4.00 · 22.2%
Ru
2.00 · 11.1%

Energy & Stability

Energy above hull
0.0349
eV/atom
Formation energy
-0.2328
eV/atom
Corrected total energy
-106.1800
eV
Raw total energy
-106.1800
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0170
eV
DOS at Fermi level
16.4056
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C6_730_spg71

Decomposition

Ho5Co2Ru Ho5Co2 Ho5Ru2

Computed at

2023-07-06 21:39:13.838402

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: agm005642687).

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 agm005642687
data_agm005642687
_cell_length_a     8.11453
_cell_length_b     8.11453
_cell_length_c     8.11453
_cell_angle_alpha  108.30413
_cell_angle_beta   110.11600
_cell_angle_gamma  109.99981
_cell_volume       411.18084
_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 0.56494 0.74080 0.82414 1.00000
  Ho2 Ho 0.43506 0.25920 0.17586 1.00000
  Ho3 Ho 0.08334 0.25920 0.82414 1.00000
  Ho4 Ho 0.91666 0.74080 0.17586 1.00000
  Ho5 Ho 0.81406 0.73810 0.55217 1.00000
  Ho6 Ho 0.18593 0.26190 0.44783 1.00000
  Ho7 Ho 0.18593 0.73810 0.92404 1.00000
  Ho8 Ho 0.81406 0.26190 0.07596 1.00000
  Ho9 Ho 0.68565 0.35773 0.67207 1.00000
  Ho10 Ho 0.31435 0.64227 0.32793 1.00000
  Ho11 Ho 0.31435 0.98642 0.67207 1.00000
  Ho12 Ho 0.68565 0.01358 0.32793 1.00000
  Co1 Co 0.50000 0.38606 0.88606 1.00000
  Co2 Co 0.50000 0.61394 0.11394 1.00000
  Co3 Co 0.66447 1.00000 0.66447 1.00000
  Co4 Co 0.33553 0.00000 0.33553 1.00000
  Ru1 Ru 0.00000 0.50000 0.50000 1.00000
  Ru2 Ru 0.00000 0.00000 0.00000 1.00000
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