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Ce2Co2Si5Rh

Alexandria ALEX

Alex-ID: agm040348614 · Space group: Ibam (#72)

Alexandria Database API

Basic Information

Formula
Ce2Co2Si5Rh
Alex-ID
agm040348614
Elements
4
Sites
20
Space group
Ibam (#72)
Crystal system
orthorhombic
Volume
315.40
ų
Cell a
8.0010
Å
Cell b
8.0010
Å
Cell c
8.0010
Å
α angle
138.17
°
β angle
105.04
°
γ angle
89.73
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce2Co2Si5Rh
Ce
4.00 · 20.0%
Co
4.00 · 20.0%
Si
10.00 · 50.0%
Rh
2.00 · 10.0%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.8481
eV/atom
Corrected total energy
-138.0541
eV
Raw total energy
-138.0541
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.6317
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D5_56_spg15

Decomposition

Ce2Co2Si5Rh

Computed at

2024-09-25 04:32:13.364460

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: agm040348614).

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 agm040348614
data_agm040348614
_cell_length_a     8.00099
_cell_length_b     8.00099
_cell_length_c     8.00099
_cell_angle_alpha  138.17225
_cell_angle_beta   105.04069
_cell_angle_gamma  89.73312
_cell_volume       315.39566
_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 0.39761 0.13098 0.26663 1.00000
  Ce2 Ce 0.86435 0.63098 0.23337 1.00000
  Ce3 Ce 0.60239 0.86902 0.73337 1.00000
  Ce4 Ce 0.13565 0.36902 0.76663 1.00000
  Co1 Co 0.47683 0.36413 0.11270 1.00000
  Co2 Co 0.25143 0.86413 0.38730 1.00000
  Co3 Co 0.52317 0.63587 0.88730 1.00000
  Co4 Co 0.74857 0.13587 0.61270 1.00000
  Si1 Si 0.73199 0.38916 0.34283 1.00000
  Si2 Si 0.04633 0.88916 0.15717 1.00000
  Si3 Si 0.26801 0.61084 0.65717 1.00000
  Si4 Si 0.95367 0.11084 0.84283 1.00000
  Si5 Si 0.50000 0.25000 0.75000 1.00000
  Si6 Si 0.50000 0.75000 0.25000 1.00000
  Si7 Si 0.23645 0.98645 0.75000 1.00000
  Si8 Si 0.76355 0.01355 0.25000 1.00000
  Si9 Si 0.76355 0.51355 0.75000 1.00000
  Si10 Si 0.23645 0.48645 0.25000 1.00000
  Rh1 Rh 0.00000 0.75000 0.75000 1.00000
  Rh2 Rh 0.00000 0.25000 0.25000 1.00000
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