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Ce2Ge5Os3

Alexandria ALEX

Alex-ID: agm003345693 · Space group: Ibam (#72)

Basic Information

Formula
Ce2Ge5Os3
Alex-ID
agm003345693
Elements
3
Sites
20
Space group
Ibam (#72)
Crystal system
orthorhombic
Volume
368.73
ų
Cell a
5.9294
Å
Cell b
8.5003
Å
Cell c
8.5003
Å
α angle
72.72
°
β angle
69.59
°
γ angle
69.59
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2Ge5Os3
Ce
4.00 · 20.0%
Ge
10.00 · 50.0%
Os
6.00 · 30.0%

Energy & Stability

Energy above hull
0.0099
eV/atom
Formation energy
-0.4622
eV/atom
Corrected total energy
-146.5324
eV
Raw total energy
-146.5324
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0013
eV
DOS at Fermi level
15.4541
Total magnetisation
0.3518
μB

Additional Information

Prototype ID

A2B3C5_62_spg72

Decomposition

Ce4Ge6Os7 CeGe3Os Os

Computed at

2022-01-30 16:29:14.082862

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: agm003345693).

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 agm003345693
data_agm003345693
_cell_length_a     5.92942
_cell_length_b     8.50026
_cell_length_c     8.50026
_cell_angle_alpha  72.71983
_cell_angle_beta   69.58736
_cell_angle_gamma  69.58736
_cell_volume       368.73132
_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 0.13754 0.59195 0.13297 1.00000
  Ce2 Ce 0.63754 0.13297 0.59195 1.00000
  Ce3 Ce 0.86246 0.40805 0.86703 1.00000
  Ce4 Ce 0.36246 0.86703 0.40805 1.00000
  Ge1 Ge 0.40894 0.25881 0.92331 1.00000
  Ge2 Ge 0.90894 0.92331 0.25881 1.00000
  Ge3 Ge 0.59106 0.74119 0.07669 1.00000
  Ge4 Ge 0.09106 0.07669 0.74119 1.00000
  Ge5 Ge 0.46246 0.78754 0.78754 1.00000
  Ge6 Ge 0.53754 0.21246 0.21246 1.00000
  Ge7 Ge 0.75000 0.50000 0.50000 1.00000
  Ge8 Ge 0.25000 0.50000 0.50000 1.00000
  Ge9 Ge 0.03754 0.21246 0.21246 1.00000
  Ge10 Ge 0.96246 0.78754 0.78754 1.00000
  Os1 Os 0.35282 0.54453 0.74984 1.00000
  Os2 Os 0.85282 0.74984 0.54453 1.00000
  Os3 Os 0.64718 0.45547 0.25016 1.00000
  Os4 Os 0.14718 0.25016 0.45547 1.00000
  Os5 Os 0.25000 0.00000 0.00000 1.00000
  Os6 Os 0.75000 0.00000 0.00000 1.00000
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