Navigation

HEAS Data Platform · Materials Science Database

Pr8Os2Pt

Alexandria ALEX

Alex-ID: agm006012769 · Space group: Cm (#8)

Basic Information

Formula
Pr8Os2Pt
Alex-ID
agm006012769
Elements
3
Sites
11
Space group
Cm (#8)
Crystal system
monoclinic
Volume
335.31
ų
Cell a
6.3953
Å
Cell b
7.7892
Å
Cell c
7.7892
Å
α angle
113.20
°
β angle
100.81
°
γ angle
100.81
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Pr8Os2Pt
Pr
8.00 · 72.7%
Os
2.00 · 18.2%
Pt
1.00 · 9.1%

Energy & Stability

Energy above hull
0.1074
eV/atom
Formation energy
-0.1585
eV/atom
Corrected total energy
-68.5624
eV
Raw total energy
-68.5624
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0084
eV
DOS at Fermi level
11.1906
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_1400_spg5

Decomposition

Pr3Os Pr7Pt3 Pr5Os2

Computed at

2023-09-29 15:57:14

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: agm006012769).

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 agm006012769
data_agm006012769
_cell_length_a     6.39529
_cell_length_b     7.78924
_cell_length_c     7.78924
_cell_angle_alpha  113.19887
_cell_angle_beta   100.80898
_cell_angle_gamma  100.80898
_cell_volume       335.30949
_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
  Pr1 Pr 0.58930 0.34973 0.08286 1.00000
  Pr2 Pr 0.58930 0.08286 0.34973 1.00000
  Pr3 Pr 0.18225 0.36310 0.36310 1.00000
  Pr4 Pr 0.98664 0.21085 0.78861 1.00000
  Pr5 Pr 0.98664 0.78861 0.21085 1.00000
  Pr6 Pr 0.78648 0.64421 0.64421 1.00000
  Pr7 Pr 0.37349 0.92310 0.65687 1.00000
  Pr8 Pr 0.37349 0.65687 0.92310 1.00000
  Os1 Os 0.48266 0.69309 0.31522 1.00000
  Os2 Os 0.48266 0.31522 0.69309 1.00000
  Pt1 Pt 0.16675 0.00631 0.00631 1.00000
Get direct link