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AcHoRh

Alexandria ALEX

Alex-ID: agm005669435 · Space group: P2_1/c (#14)

Basic Information

Formula
AcHoRh
Alex-ID
agm005669435
Elements
3
Sites
12
Space group
P2_1/c (#14)
Crystal system
monoclinic
Volume
377.00
ų
Cell a
6.3452
Å
Cell b
8.1549
Å
Cell c
8.7310
Å
α angle
123.44
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
AcHoRh
Ac
4.00 · 33.3%
Ho
4.00 · 33.3%
Rh
4.00 · 33.3%

Energy & Stability

Energy above hull
0.0830
eV/atom
Formation energy
-0.5529
eV/atom
Corrected total energy
-70.7888
eV
Raw total energy
-70.7888
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0132
eV
DOS at Fermi level
8.9625
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC_9553_spg4

Decomposition

Ho5Rh3 Ac2Rh Ac

Computed at

2023-06-18 10:05:39.587398

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: agm005669435).

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 agm005669435
data_agm005669435
_cell_length_a     6.34517
_cell_length_b     8.15491
_cell_length_c     8.73096
_cell_angle_alpha  123.43791
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       377.00070
_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 0.37455 0.23742 0.88680 1.00000
  Ac2 Ac 0.62545 0.76258 0.11320 1.00000
  Ac3 Ac 0.87455 0.26258 0.61320 1.00000
  Ac4 Ac 0.12545 0.73742 0.38680 1.00000
  Ho1 Ho 0.85201 0.22083 0.13338 1.00000
  Ho2 Ho 0.64799 0.72083 0.63338 1.00000
  Ho3 Ho 0.14799 0.77917 0.86662 1.00000
  Ho4 Ho 0.35201 0.27917 0.36662 1.00000
  Rh1 Rh 0.45867 0.48411 0.73452 1.00000
  Rh2 Rh 0.54133 0.51589 0.26548 1.00000
  Rh3 Rh 0.04133 0.98411 0.23452 1.00000
  Rh4 Rh 0.95867 0.01589 0.76548 1.00000
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