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Ac8LaRh4

Alexandria ALEX

Alex-ID: agm098096697 · Space group: Cm (#8)

Basic Information

Formula
Ac8LaRh4
Alex-ID
agm098096697
Elements
3
Sites
13
Space group
Cm (#8)
Crystal system
monoclinic
Volume
487.75
ų
Cell a
4.3178
Å
Cell b
11.0818
Å
Cell c
11.4755
Å
α angle
65.42
°
β angle
90.02
°
γ angle
78.78
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac8LaRh4
Ac
8.00 · 61.5%
La
1.00 · 7.7%
Rh
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0303
eV/atom
Formation energy
-0.4931
eV/atom
Corrected total energy
-73.6114
eV
Raw total energy
-73.6114
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.6520
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_786_spg8

Decomposition

Ac2Rh La7Rh3 Ac

Computed at

2025-06-18 07:58:45

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: agm098096697).

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 agm098096697
data_agm098096697
_cell_length_a     4.31779
_cell_length_b     11.08184
_cell_length_c     11.47555
_cell_angle_alpha  65.41873
_cell_angle_beta   90.01693
_cell_angle_gamma  78.77868
_cell_volume       487.74942
_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 0.24638 0.20029 0.32354 1.00000
  Ac2 Ac 0.06368 0.56642 0.00475 1.00000
  Ac3 Ac 0.54320 0.60547 0.65737 1.00000
  Ac4 Ac 0.21728 0.25831 0.67855 1.00000
  Ac5 Ac 0.91781 0.85481 0.33958 1.00000
  Ac6 Ac 0.58355 0.52455 0.33870 1.00000
  Ac7 Ac 0.73145 0.23163 0.00048 1.00000
  Ac8 Ac 0.87783 0.93537 0.66057 1.00000
  La1 La 0.39163 0.90931 0.99193 1.00000
  Rh1 Rh 0.81243 0.06815 0.84755 1.00000
  Rh2 Rh 0.65299 0.38725 0.15833 1.00000
  Rh3 Rh 0.06936 0.55334 0.50327 1.00000
  Rh4 Rh 0.39240 0.90510 0.49538 1.00000
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