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Ho8OsRh2

Alexandria ALEX

Alex-ID: agm003533409 · Space group: C2/m (#12)

Basic Information

Formula
Ho8OsRh2
Alex-ID
agm003533409
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
273.06
ų
Cell a
4.9398
Å
Cell b
6.7625
Å
Cell c
8.9062
Å
α angle
106.51
°
β angle
106.10
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho8OsRh2
Ho
8.00 · 72.7%
Os
1.00 · 9.1%
Rh
2.00 · 18.2%

Energy & Stability

Energy above hull
0.0640
eV/atom
Formation energy
-0.4257
eV/atom
Corrected total energy
-67.2432
eV
Raw total energy
-67.2432
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0039
eV
DOS at Fermi level
9.6592
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_259_spg8

Decomposition

Ho5Rh2 Ho3Os

Computed at

2022-03-17 07:46:05.531602

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: agm003533409).

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 agm003533409
data_agm003533409
_cell_length_a     4.93983
_cell_length_b     6.76254
_cell_length_c     8.90618
_cell_angle_alpha  106.50925
_cell_angle_beta   106.10066
_cell_angle_gamma  90.00000
_cell_volume       273.05856
_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 0.40680 0.55737 0.81359 1.00000
  Ho2 Ho 0.66667 0.96537 0.33334 1.00000
  Ho3 Ho 0.79841 0.68783 0.59682 1.00000
  Ho4 Ho 0.96811 0.20596 0.93623 1.00000
  Ho5 Ho 0.20159 0.31217 0.40318 1.00000
  Ho6 Ho 0.33333 0.03463 0.66666 1.00000
  Ho7 Ho 0.59320 0.44263 0.18641 1.00000
  Ho8 Ho 0.03189 0.79404 0.06378 1.00000
  Os1 Os 0.50000 0.00000 0.00000 1.00000
  Rh1 Rh 0.81122 0.29659 0.62245 1.00000
  Rh2 Rh 0.18878 0.70341 0.37755 1.00000
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