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Ce(GeOs)2

Alexandria ALEX

Alex-ID: agm002152012 · Space group: I4/mmm (#139)

Alexandria Database API

Basic Information

Formula
Ce(GeOs)2
Alex-ID
agm002152012
Elements
3
Sites
5
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
92.03
ų
Cell a
4.2763
Å
Cell b
4.2763
Å
Cell c
5.8721
Å
α angle
111.37
°
β angle
111.37
°
γ angle
89.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce(GeOs)2
Ge
2.00 · 40.0%
Os
2.00 · 40.0%
Ce
1.00 · 20.0%

Energy & Stability

Energy above hull
0.0577
eV/atom
Formation energy
-0.3928
eV/atom
Corrected total energy
-39.5919
eV
Raw total energy
-39.5919
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0023
eV
DOS at Fermi level
6.2419
Total magnetisation
0.5687
μB

Additional Information

Prototype ID

AB2C2_5_spg139

Decomposition

Ce4Ge6Os7 CeGe3Os Os

Computed at

2018-05-24 03:30:54

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: agm002152012).

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 agm002152012
data_agm002152012
_cell_length_a     4.27634
_cell_length_b     4.27634
_cell_length_c     5.87211
_cell_angle_alpha  111.36736
_cell_angle_beta   111.36736
_cell_angle_gamma  89.98999
_cell_volume       92.03412
_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
  Ge1 Ge 0.62773 0.62773 0.25563 1.00000
  Ge2 Ge 0.37227 0.37227 0.74437 1.00000
  Os1 Os 0.24999 0.75001 0.50000 1.00000
  Os2 Os 0.75001 0.24999 0.50000 1.00000
  Ce1 Ce 0.00000 0.00000 0.00000 1.00000
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