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La8Ho2Er

Alexandria ALEX

Alex-ID: agm003520161 · Space group: C2/m (#12)

Basic Information

Formula
La8Ho2Er
Alex-ID
agm003520161
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
392.03
ų
Cell a
6.0602
Å
Cell b
9.5950
Å
Cell c
9.5950
Å
α angle
122.31
°
β angle
105.55
°
γ angle
105.55
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La8Ho2Er
La
8.00 · 72.7%
Ho
2.00 · 18.2%
Er
1.00 · 9.1%

Energy & Stability

Energy above hull
0.1319
eV/atom
Formation energy
0.1277
eV/atom
Corrected total energy
-51.7343
eV
Raw total energy
-51.7343
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
15.3307
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_279_spg12

Decomposition

La7Er LaHo2

Computed at

2022-03-15 12:50:05.850714

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: agm003520161).

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 agm003520161
data_agm003520161
_cell_length_a     6.06018
_cell_length_b     9.59503
_cell_length_c     9.59503
_cell_angle_alpha  122.30765
_cell_angle_beta   105.55221
_cell_angle_gamma  105.55221
_cell_volume       392.03400
_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 0.81649 0.90493 0.66675 1.00000
  La2 La 0.81649 0.66675 0.90493 1.00000
  La3 La 0.29856 0.58027 0.58027 1.00000
  La4 La 0.50000 0.79433 0.20567 1.00000
  La5 La 0.50000 0.20567 0.79433 1.00000
  La6 La 0.70144 0.41973 0.41973 1.00000
  La7 La 0.18351 0.33325 0.09507 1.00000
  La8 La 0.18351 0.09507 0.33325 1.00000
  Ho1 Ho 0.00000 0.31118 0.68882 1.00000
  Ho2 Ho 0.00000 0.68882 0.31118 1.00000
  Er1 Er 0.50000 0.00000 0.00000 1.00000
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