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Ac8Rh5

Alexandria ALEX

Alex-ID: agm018418697 · Space group: C2/m (#12)

Basic Information

Formula
Ac8Rh5
Alex-ID
agm018418697
Elements
2
Sites
13
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
451.88
ų
Cell a
7.3726
Å
Cell b
8.6963
Å
Cell c
8.6766
Å
α angle
120.08
°
β angle
107.36
°
γ angle
89.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac8Rh5
Ac
8.00 · 61.5%
Rh
5.00 · 38.5%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.6179
eV/atom
Corrected total energy
-77.6577
eV
Raw total energy
-77.6577
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.4127
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A5B8_210_spg12

Decomposition

Ac8Rh5

Computed at

2025-02-03 02:08:19

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: agm018418697).

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 agm018418697
data_agm018418697
_cell_length_a     7.37258
_cell_length_b     8.69630
_cell_length_c     8.67662
_cell_angle_alpha  120.07732
_cell_angle_beta   107.36143
_cell_angle_gamma  89.98856
_cell_volume       451.88396
_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
  Ac1 Ac 0.77625 0.37626 0.75227 1.00000
  Ac2 Ac 0.22375 0.62374 0.24773 1.00000
  Ac3 Ac 0.75695 0.88170 0.76363 1.00000
  Ac4 Ac 0.24305 0.11830 0.23637 1.00000
  Ac5 Ac 0.76302 0.36418 0.25048 1.00000
  Ac6 Ac 0.76315 0.88649 0.25074 1.00000
  Ac7 Ac 0.23685 0.11351 0.74926 1.00000
  Ac8 Ac 0.23698 0.63582 0.74952 1.00000
  Rh1 Rh 0.97985 0.74544 0.49107 1.00000
  Rh2 Rh 0.02015 0.25456 0.50893 1.00000
  Rh3 Rh 0.50000 0.00000 0.00000 1.00000
  Rh4 Rh 0.00019 0.74572 0.00024 1.00000
  Rh5 Rh 0.99981 0.25428 0.99976 1.00000
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