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La5Ho2

Alexandria ALEX

Alex-ID: agm008697752 · Space group: C2/m (#12)

Basic Information

Formula
La5Ho2
Alex-ID
agm008697752
Elements
2
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
245.41
ų
Cell a
6.3159
Å
Cell b
6.3159
Å
Cell c
11.0985
Å
α angle
84.39
°
β angle
95.61
°
γ angle
146.14
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La5Ho2
La
5.00 · 71.4%
Ho
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0242
eV/atom
Formation energy
0.0200
eV/atom
Corrected total energy
-33.6546
eV
Raw total energy
-33.6546
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.2114
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B5_214_spg12

Decomposition

La7Ho LaHo2

Computed at

2025-05-04 15:39:39

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: agm008697752).

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 agm008697752
data_agm008697752
_cell_length_a     6.31594
_cell_length_b     6.31594
_cell_length_c     11.09852
_cell_angle_alpha  84.39488
_cell_angle_beta   95.60512
_cell_angle_gamma  146.13667
_cell_volume       245.40734
_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 0.00000 0.00000 0.00000 1.00000
  La2 La 0.14311 0.85689 0.57579 1.00000
  La3 La 0.85689 0.14311 0.42421 1.00000
  La4 La 0.42645 0.57355 0.71655 1.00000
  La5 La 0.57355 0.42645 0.28345 1.00000
  Ho1 Ho 0.71393 0.28607 0.86273 1.00000
  Ho2 Ho 0.28607 0.71393 0.13727 1.00000
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