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La2Ho5

Alexandria ALEX

Alex-ID: agm009142138 · Space group: C2/m (#12)

Basic Information

Formula
La2Ho5
Alex-ID
agm009142138
Elements
2
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
232.21
ų
Cell a
8.6651
Å
Cell b
8.6651
Å
Cell c
8.8498
Å
α angle
61.27
°
β angle
118.73
°
γ angle
156.35
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2Ho5
La
2.00 · 28.6%
Ho
5.00 · 71.4%

Energy & Stability

Energy above hull
0.0448
eV/atom
Formation energy
0.0375
eV/atom
Corrected total energy
-32.4849
eV
Raw total energy
-32.4849
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.7417
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B5_491_spg2

Decomposition

LaHo2 Ho

Computed at

2025-06-22 20:11:49

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: agm009142138).

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 agm009142138
data_agm009142138
_cell_length_a     8.66506
_cell_length_b     8.66506
_cell_length_c     8.84975
_cell_angle_alpha  61.27205
_cell_angle_beta   118.72795
_cell_angle_gamma  156.34864
_cell_volume       232.20973
_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
  La1 La 0.36115 0.63885 0.16676 1.00000
  La2 La 0.63885 0.36115 0.83324 1.00000
  Ho1 Ho 0.07128 0.92872 0.42579 1.00000
  Ho2 Ho 0.92872 0.07128 0.57421 1.00000
  Ho3 Ho 0.00000 0.00000 0.00000 1.00000
  Ho4 Ho 0.29599 0.70401 0.70269 1.00000
  Ho5 Ho 0.70401 0.29599 0.29731 1.00000
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