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Ho6Ag3RuRh2

Alexandria ALEX

Alex-ID: agm036081836 · Space group: P2/m (#10)

Basic Information

Formula
Ho6Ag3RuRh2
Alex-ID
agm036081836
Elements
4
Sites
12
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
260.73
ų
Cell a
8.0713
Å
Cell b
3.4769
Å
Cell c
10.0172
Å
α angle
90.00
°
β angle
111.95
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho6Ag3RuRh2
Ho
6.00 · 50.0%
Ag
3.00 · 25.0%
Ru
1.00 · 8.3%
Rh
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0081
eV/atom
Formation energy
-0.5522
eV/atom
Corrected total energy
-66.6299
eV
Raw total energy
-66.6299
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.6136
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3D6_251_spg12

Decomposition

Ho2AgRh Ho2AgRu

Computed at

2025-01-01 04:45:50

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: agm036081836).

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 agm036081836
data_agm036081836
_cell_length_a     8.07125
_cell_length_b     3.47689
_cell_length_c     10.01720
_cell_angle_alpha  90.00000
_cell_angle_beta   111.95381
_cell_angle_gamma  90.00000
_cell_volume       260.72687
_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 0.18242 0.00000 0.40967 1.00000
  Ho2 Ho 0.84781 0.00000 0.07652 1.00000
  Ho3 Ho 0.81758 0.00000 0.59033 1.00000
  Ho4 Ho 0.51498 0.00000 0.74192 1.00000
  Ho5 Ho 0.48502 0.00000 0.25808 1.00000
  Ho6 Ho 0.15219 0.00000 0.92348 1.00000
  Ag1 Ag 0.50000 0.50000 0.00000 1.00000
  Ag2 Ag 0.16823 0.50000 0.66628 1.00000
  Ag3 Ag 0.83177 0.50000 0.33372 1.00000
  Ru1 Ru 0.50000 0.50000 0.50000 1.00000
  Rh1 Rh 0.16467 0.50000 0.16495 1.00000
  Rh2 Rh 0.83533 0.50000 0.83505 1.00000
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