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Ce5Os2Pt

Alexandria ALEX

Alex-ID: agm003469072 · Space group: Cmcm (#63)

Basic Information

Formula
Ce5Os2Pt
Alex-ID
agm003469072
Elements
3
Sites
16
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
483.38
ų
Cell a
5.5930
Å
Cell b
6.8641
Å
Cell c
13.7870
Å
α angle
90.00
°
β angle
90.00
°
γ angle
114.04
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce5Os2Pt
Ce
10.00 · 62.5%
Os
4.00 · 25.0%
Pt
2.00 · 12.5%

Energy & Stability

Energy above hull
0.2051
eV/atom
Formation energy
-0.2139
eV/atom
Corrected total energy
-119.8555
eV
Raw total energy
-119.8555
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
50.7185
Total magnetisation
6.6606
μB

Additional Information

Prototype ID

AB2C5_412_spg63

Decomposition

Ce5Os2Pt

Computed at

2022-02-20 14:23:46.655828

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: agm003469072).

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 agm003469072
data_agm003469072
_cell_length_a     5.59303
_cell_length_b     6.86406
_cell_length_c     13.78701
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  114.04251
_cell_volume       483.37620
_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
  Ce1 Ce 0.94860 0.89721 0.88139 1.00000
  Ce2 Ce 0.94860 0.89721 0.61861 1.00000
  Ce3 Ce 0.34222 0.68443 0.44069 1.00000
  Ce4 Ce 0.34222 0.68443 0.05931 1.00000
  Ce5 Ce 0.75691 0.51381 0.25000 1.00000
  Ce6 Ce 0.24309 0.48619 0.75000 1.00000
  Ce7 Ce 0.65778 0.31557 0.55931 1.00000
  Ce8 Ce 0.65778 0.31557 0.94069 1.00000
  Ce9 Ce 0.05140 0.10279 0.11861 1.00000
  Ce10 Ce 0.05140 0.10279 0.38139 1.00000
  Os1 Os 0.84874 0.69747 0.44116 1.00000
  Os2 Os 0.84874 0.69747 0.05884 1.00000
  Os3 Os 0.15126 0.30253 0.55884 1.00000
  Os4 Os 0.15126 0.30253 0.94116 1.00000
  Pt1 Pt 0.76869 0.53738 0.75000 1.00000
  Pt2 Pt 0.23131 0.46262 0.25000 1.00000
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