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La2Dy3Ho2

Alexandria ALEX

Alex-ID: agm017456481 · Space group: I4/mmm (#139)

Basic Information

Formula
La2Dy3Ho2
Alex-ID
agm017456481
Elements
3
Sites
7
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
231.03
ų
Cell a
17.9215
Å
Cell b
17.9215
Å
Cell c
17.9215
Å
α angle
168.44
°
β angle
168.44
°
γ angle
16.37
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2Dy3Ho2
La
2.00 · 28.6%
Dy
3.00 · 42.9%
Ho
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0370
eV/atom
Formation energy
0.0306
eV/atom
Corrected total energy
-32.6089
eV
Raw total energy
-32.6088
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
10.6842
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C3_1801_spg65

Decomposition

La5Dy LaDy4 LaHo2

Computed at

2025-06-23 13:02:24

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: agm017456481).

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 agm017456481
data_agm017456481
_cell_length_a     17.92145
_cell_length_b     17.92145
_cell_length_c     17.92145
_cell_angle_alpha  168.44262
_cell_angle_beta   168.44262
_cell_angle_gamma  16.37256
_cell_volume       231.03198
_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 0.85793 0.85793 0.00000 1.00000
  La2 La 0.14207 0.14207 0.00000 1.00000
  Dy1 Dy 0.71537 0.71537 1.00000 1.00000
  Dy2 Dy 0.28463 0.28463 0.00000 1.00000
  Dy3 Dy 0.00000 0.00000 0.00000 1.00000
  Ho1 Ho 0.56878 0.56878 0.00000 1.00000
  Ho2 Ho 0.43122 0.43122 1.00000 1.00000
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