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Ho5OsPt2

Alexandria ALEX

Alex-ID: agm005998848 · Space group: Pbam (#55)

Basic Information

Formula
Ho5OsPt2
Alex-ID
agm005998848
Elements
3
Sites
16
Space group
Pbam (#55)
Crystal system
orthorhombic
Volume
387.87
ų
Cell a
4.2694
Å
Cell b
7.6124
Å
Cell c
11.9343
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ho5OsPt2
Ho
10.00 · 62.5%
Os
2.00 · 12.5%
Pt
4.00 · 25.0%

Energy & Stability

Energy above hull
0.0309
eV/atom
Formation energy
-0.7633
eV/atom
Corrected total energy
-104.8092
eV
Raw total energy
-104.8092
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.7240
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C5_138_spg55

Decomposition

Ho5Pt3 Ho5Os2 HoOs2

Computed at

2023-08-25 13:21:31

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: agm005998848).

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 agm005998848
data_agm005998848
_cell_length_a     4.26941
_cell_length_b     7.61236
_cell_length_c     11.93434
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       387.86991
_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 0.00000 0.00000 0.50000 1.00000
  Ho2 Ho 0.00000 0.50000 0.00000 1.00000
  Ho3 Ho 0.00000 0.83808 0.20275 1.00000
  Ho4 Ho 0.00000 0.16192 0.79725 1.00000
  Ho5 Ho 0.00000 0.66192 0.70275 1.00000
  Ho6 Ho 0.00000 0.33808 0.29725 1.00000
  Ho7 Ho 0.50000 0.67631 0.40961 1.00000
  Ho8 Ho 0.50000 0.32369 0.59039 1.00000
  Ho9 Ho 0.50000 0.82369 0.90961 1.00000
  Ho10 Ho 0.50000 0.17631 0.09039 1.00000
  Os1 Os 0.00000 0.50000 0.50000 1.00000
  Os2 Os 0.00000 0.00000 0.00000 1.00000
  Pt1 Pt 0.50000 0.54310 0.17114 1.00000
  Pt2 Pt 0.50000 0.45690 0.82886 1.00000
  Pt3 Pt 0.50000 0.95690 0.67114 1.00000
  Pt4 Pt 0.50000 0.04310 0.32886 1.00000
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