Navigation

HEAS Data Platform · Materials Science Database

LaHoFe10

Alexandria ALEX

Alex-ID: agm024154538 · Space group: Pmmm (#47)

Alexandria Database API

Basic Information

Formula
LaHoFe10
Alex-ID
agm024154538
Elements
3
Sites
12
Space group
Pmmm (#47)
Crystal system
orthorhombic
Volume
176.58
ų
Cell a
3.9566
Å
Cell b
5.0747
Å
Cell c
8.7943
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaHoFe10
La
1.00 · 8.3%
Ho
1.00 · 8.3%
Fe
10.00 · 83.3%

Energy & Stability

Energy above hull
0.0461
eV/atom
Formation energy
0.0105
eV/atom
Corrected total energy
-94.0073
eV
Raw total energy
-94.0073
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0137
eV
DOS at Fermi level
15.2089
Total magnetisation
20.5975
μB

Additional Information

Prototype ID

ABC10_33_spg25

Decomposition

Ho5Fe19 Fe La4Fe

Computed at

2025-03-11 03:54:13

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: agm024154538).

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 agm024154538
data_agm024154538
_cell_length_a     3.95656
_cell_length_b     5.07473
_cell_length_c     8.79432
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       176.57687
_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 0.50000 0.00000 0.50000 1.00000
  Ho1 Ho 0.50000 0.50000 0.00000 1.00000
  Fe1 Fe 0.50000 0.50000 0.32835 1.00000
  Fe2 Fe 0.50000 0.00000 0.83771 1.00000
  Fe3 Fe 0.50000 0.00000 0.16229 1.00000
  Fe4 Fe 0.50000 0.50000 0.67165 1.00000
  Fe5 Fe 0.00000 0.50000 0.50000 1.00000
  Fe6 Fe 0.00000 0.00000 0.00000 1.00000
  Fe7 Fe 0.00000 0.74591 0.24193 1.00000
  Fe8 Fe 0.00000 0.25409 0.75807 1.00000
  Fe9 Fe 0.00000 0.25409 0.24193 1.00000
  Fe10 Fe 0.00000 0.74591 0.75807 1.00000
Get direct link