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LaNdHo5

Alexandria ALEX

Alex-ID: agm005757154 · Space group: C2/c (#15)

Basic Information

Formula
LaNdHo5
Alex-ID
agm005757154
Elements
3
Sites
14
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
463.90
ų
Cell a
6.7972
Å
Cell b
6.7972
Å
Cell c
13.8610
Å
α angle
61.12
°
β angle
61.12
°
γ angle
61.02
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaNdHo5
La
2.00 · 14.3%
Nd
2.00 · 14.3%
Ho
10.00 · 71.4%

Energy & Stability

Energy above hull
0.2044
eV/atom
Formation energy
0.1985
eV/atom
Corrected total energy
-62.4052
eV
Raw total energy
-62.4052
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0037
eV
DOS at Fermi level
19.5766
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC5_370_spg15

Decomposition

NdHo2 Nd2Ho7 LaHo2

Computed at

2023-07-14 08:34:35.894864

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: agm005757154).

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 agm005757154
data_agm005757154
_cell_length_a     6.79725
_cell_length_b     6.79725
_cell_length_c     13.86095
_cell_angle_alpha  61.11570
_cell_angle_beta   61.11569
_cell_angle_gamma  61.02312
_cell_volume       463.89793
_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 0.72415 0.27585 0.75000 1.00000
  La2 La 0.27585 0.72415 0.25000 1.00000
  Nd1 Nd 0.00000 0.00000 0.00000 1.00000
  Nd2 Nd 0.00000 0.00000 0.50000 1.00000
  Ho1 Ho 0.17130 0.39476 0.74616 1.00000
  Ho2 Ho 0.63488 0.70227 0.50146 1.00000
  Ho3 Ho 0.39476 0.17130 0.24616 1.00000
  Ho4 Ho 0.15892 0.84108 0.75000 1.00000
  Ho5 Ho 0.29773 0.36512 0.99854 1.00000
  Ho6 Ho 0.70227 0.63488 0.00146 1.00000
  Ho7 Ho 0.84108 0.15892 0.25000 1.00000
  Ho8 Ho 0.60524 0.82870 0.75384 1.00000
  Ho9 Ho 0.36512 0.29773 0.49854 1.00000
  Ho10 Ho 0.82870 0.60524 0.25384 1.00000
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