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Os(PtRh)2

Alexandria ALEX

Alex-ID: agm032109033 · Space group: I4/mmm (#139)

Basic Information

Formula
Os(PtRh)2
Alex-ID
agm032109033
Elements
3
Sites
5
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
73.90
ų
Cell a
10.0637
Å
Cell b
10.0637
Å
Cell c
10.0637
Å
α angle
164.38
°
β angle
164.38
°
γ angle
22.16
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Os(PtRh)2
Os
1.00 · 20.0%
Pt
2.00 · 40.0%
Rh
2.00 · 40.0%

Energy & Stability

Energy above hull
0.0145
eV/atom
Formation energy
-0.0113
eV/atom
Corrected total energy
-38.1654
eV
Raw total energy
-38.1654
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.1820
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_5265_spg2

Decomposition

OsPtRh2 Pt

Computed at

2025-01-19 04:31:17

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: agm032109033).

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 agm032109033
data_agm032109033
_cell_length_a     10.06374
_cell_length_b     10.06374
_cell_length_c     10.06374
_cell_angle_alpha  164.37843
_cell_angle_beta   164.37843
_cell_angle_gamma  22.16177
_cell_volume       73.89549
_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
  Os1 Os 0.00000 0.00000 0.00000 1.00000
  Pt1 Pt 0.80292 0.80292 0.00000 1.00000
  Pt2 Pt 0.19708 0.19708 0.00000 1.00000
  Rh1 Rh 0.59417 0.59417 0.00000 1.00000
  Rh2 Rh 0.40583 0.40583 0.00000 1.00000
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