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La4HoEr10

Alexandria ALEX

Alex-ID: agm006003271 · Space group: I4/m (#87)

Basic Information

Formula
La4HoEr10
Alex-ID
agm006003271
Elements
3
Sites
15
Space group
I4/m (#87)
Crystal system
tetragonal
Volume
507.33
ų
Cell a
10.6155
Å
Cell b
8.7157
Å
Cell c
8.7157
Å
α angle
68.23
°
β angle
52.48
°
γ angle
52.48
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La4HoEr10
La
4.00 · 26.7%
Ho
1.00 · 6.7%
Er
10.00 · 66.7%

Energy & Stability

Energy above hull
0.3810
eV/atom
Formation energy
0.3729
eV/atom
Corrected total energy
-64.3233
eV
Raw total energy
-64.3233
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
23.7284
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C10_62_spg87

Decomposition

HoEr5 LaHo2 LaEr2

Computed at

2023-08-08 14:35:36.025623

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: agm006003271).

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 agm006003271
data_agm006003271
_cell_length_a     10.61553
_cell_length_b     8.71570
_cell_length_c     8.71570
_cell_angle_alpha  68.23084
_cell_angle_beta   52.48353
_cell_angle_gamma  52.48353
_cell_volume       507.32690
_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 0.33582 0.73165 0.59671 1.00000
  La2 La 0.93253 0.40329 0.73165 1.00000
  La3 La 0.06747 0.59671 0.26835 1.00000
  La4 La 0.66418 0.26835 0.40329 1.00000
  Ho1 Ho 0.00000 0.00000 0.00000 1.00000
  Er1 Er 0.25000 0.50000 0.50000 1.00000
  Er2 Er 0.54820 0.32223 0.90373 1.00000
  Er3 Er 0.12956 0.09627 0.32223 1.00000
  Er4 Er 0.54806 0.90373 0.67777 1.00000
  Er5 Er 0.77417 0.67777 0.09627 1.00000
  Er6 Er 0.45180 0.67777 0.09627 1.00000
  Er7 Er 0.75000 0.50000 0.50000 1.00000
  Er8 Er 0.22583 0.32223 0.90373 1.00000
  Er9 Er 0.45194 0.09627 0.32223 1.00000
  Er10 Er 0.87044 0.90373 0.67777 1.00000
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