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Ce6Rh5

Alexandria ALEX

Alex-ID: agm003292995 · Space group: C2/m (#12)

Basic Information

Formula
Ce6Rh5
Alex-ID
agm003292995
Elements
2
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
273.87
ų
Cell a
6.9540
Å
Cell b
6.9320
Å
Cell c
6.9446
Å
α angle
80.61
°
β angle
71.03
°
γ angle
59.90
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce6Rh5
Ce
6.00 · 54.5%
Rh
5.00 · 45.5%

Energy & Stability

Energy above hull
0.0937
eV/atom
Formation energy
-0.6226
eV/atom
Corrected total energy
-79.2091
eV
Raw total energy
-79.2091
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0004
eV
DOS at Fermi level
23.1906
Total magnetisation
2.7332
μB

Additional Information

Prototype ID

A5B6_9_spg12

Decomposition

CeRh Ce

Computed at

2022-01-17 04:02:30.258844

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: agm003292995).

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 agm003292995
data_agm003292995
_cell_length_a     6.95397
_cell_length_b     6.93205
_cell_length_c     6.94459
_cell_angle_alpha  80.61431
_cell_angle_beta   71.02649
_cell_angle_gamma  59.89534
_cell_volume       273.87447
_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 0.74218 0.00000 0.75590 1.00000
  Ce2 Ce 0.25782 1.00000 0.24410 1.00000
  Ce3 Ce 0.42646 0.65990 0.74230 1.00000
  Ce4 Ce 0.91363 0.65990 0.25770 1.00000
  Ce5 Ce 0.57354 0.34010 0.25770 1.00000
  Ce6 Ce 0.08637 0.34010 0.74230 1.00000
  Rh1 Rh 0.50000 0.00000 0.50000 1.00000
  Rh2 Rh 0.33078 0.33844 0.00000 1.00000
  Rh3 Rh 0.66922 0.66156 0.00000 1.00000
  Rh4 Rh 0.15741 0.68519 0.50000 1.00000
  Rh5 Rh 0.84259 0.31481 0.50000 1.00000
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