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Ce2GeRh5

Alexandria ALEX

Alex-ID: agm005966705 · Space group: Pbam (#55)

Alexandria Database API

Basic Information

Formula
Ce2GeRh5
Alex-ID
agm005966705
Elements
3
Sites
16
Space group
Pbam (#55)
Crystal system
orthorhombic
Volume
271.60
ų
Cell a
4.1235
Å
Cell b
5.8284
Å
Cell c
11.3008
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2GeRh5
Ce
4.00 · 25.0%
Ge
2.00 · 12.5%
Rh
10.00 · 62.5%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.7824
eV/atom
Corrected total energy
-119.0036
eV
Raw total energy
-119.0036
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.3290
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C5_227_spg55

Decomposition

Ce2GeRh5

Computed at

2023-08-25 12:45:38

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: agm005966705).

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 agm005966705
data_agm005966705
_cell_length_a     4.12348
_cell_length_b     5.82844
_cell_length_c     11.30078
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       271.59729
_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 0.50000 0.31419 0.35988 1.00000
  Ce2 Ce 0.50000 0.68581 0.64012 1.00000
  Ce3 Ce 0.50000 0.18581 0.85988 1.00000
  Ce4 Ce 0.50000 0.81419 0.14012 1.00000
  Ge1 Ge 0.00000 0.00000 0.50000 1.00000
  Ge2 Ge 0.00000 0.50000 0.00000 1.00000
  Rh1 Rh 0.50000 0.30659 0.10585 1.00000
  Rh2 Rh 0.50000 0.69341 0.89415 1.00000
  Rh3 Rh 0.50000 0.80659 0.39415 1.00000
  Rh4 Rh 0.50000 0.19341 0.60585 1.00000
  Rh5 Rh 0.00000 0.94005 0.74145 1.00000
  Rh6 Rh 0.00000 0.05995 0.25855 1.00000
  Rh7 Rh 0.00000 0.44005 0.75855 1.00000
  Rh8 Rh 0.00000 0.55995 0.24145 1.00000
  Rh9 Rh 0.00000 0.50000 0.50000 1.00000
  Rh10 Rh 0.00000 0.00000 0.00000 1.00000
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