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ReRh10

Alexandria ALEX

Alex-ID: agm042809934 · Space group: C2/m (#12)

Basic Information

Formula
ReRh10
Alex-ID
agm042809934
Elements
2
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
156.50
ų
Cell a
7.1969
Å
Cell b
7.1969
Å
Cell c
6.0736
Å
α angle
75.31
°
β angle
75.31
°
γ angle
31.04
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
ReRh10
Re
1.00 · 9.1%
Rh
10.00 · 90.9%

Energy & Stability

Energy above hull
0.0199
eV/atom
Formation energy
-0.0458
eV/atom
Corrected total energy
-86.4659
eV
Raw total energy
-86.4659
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.8981
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB10_21_spg2

Decomposition

ReRh8 Rh

Computed at

2024-09-25 02:32:30.191852

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: agm042809934).

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 agm042809934
data_agm042809934
_cell_length_a     7.19686
_cell_length_b     7.19686
_cell_length_c     6.07363
_cell_angle_alpha  75.30853
_cell_angle_beta   75.30853
_cell_angle_gamma  31.04217
_cell_volume       156.50023
_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
  Re1 Re 0.50000 0.50000 0.50000 1.00000
  Rh1 Rh 0.22409 0.22409 0.86680 1.00000
  Rh2 Rh 0.77591 0.77591 0.13320 1.00000
  Rh3 Rh 0.86668 0.86668 0.67941 1.00000
  Rh4 Rh 0.95559 0.95559 0.23132 1.00000
  Rh5 Rh 0.31913 0.31913 0.41376 1.00000
  Rh6 Rh 0.40843 0.40843 0.94556 1.00000
  Rh7 Rh 0.59157 0.59157 0.05444 1.00000
  Rh8 Rh 0.68087 0.68087 0.58624 1.00000
  Rh9 Rh 0.04441 0.04441 0.76868 1.00000
  Rh10 Rh 0.13332 0.13332 0.32059 1.00000
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