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CeGe4OsRh2

Alexandria ALEX

Alex-ID: agm004789375 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
CeGe4OsRh2
Alex-ID
agm004789375
Elements
4
Sites
8
Space group
R-3m (#166)
Crystal system
trigonal
Volume
136.82
ų
Cell a
4.2297
Å
Cell b
4.2297
Å
Cell c
9.1622
Å
α angle
76.65
°
β angle
76.65
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeGe4OsRh2
Ce
1.00 · 12.5%
Ge
4.00 · 50.0%
Os
1.00 · 12.5%
Rh
2.00 · 25.0%

Energy & Stability

Energy above hull
0.1652
eV/atom
Formation energy
-0.4218
eV/atom
Corrected total energy
-53.7105
eV
Raw total energy
-53.7105
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.5013
Total magnetisation
0.3067
μB

Additional Information

Prototype ID

ABC2D4_337_spg166

Decomposition

Ce2Ge5Rh3 Ge2Os GeRh Os

Computed at

2022-07-14 08:49:12.657499

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: agm004789375).

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 agm004789375
data_agm004789375
_cell_length_a     4.22972
_cell_length_b     4.22972
_cell_length_c     9.16220
_cell_angle_alpha  76.65440
_cell_angle_beta   76.65440
_cell_angle_gamma  60.00000
_cell_volume       136.82058
_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 0.00000 0.00000 0.00000 1.00000
  Ge1 Ge 0.39735 0.39735 0.80796 1.00000
  Ge2 Ge 0.86992 0.86992 0.39023 1.00000
  Ge3 Ge 0.13008 0.13008 0.60977 1.00000
  Ge4 Ge 0.60265 0.60265 0.19204 1.00000
  Os1 Os 0.50000 0.50000 0.50000 1.00000
  Rh1 Rh 0.76735 0.76735 0.69796 1.00000
  Rh2 Rh 0.23265 0.23265 0.30204 1.00000
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