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LaDy5Ho7

Alexandria ALEX

Alex-ID: agm006085482 · Space group: Imm2 (#44)

Basic Information

Formula
LaDy5Ho7
Alex-ID
agm006085482
Elements
3
Sites
13
Space group
Imm2 (#44)
Crystal system
orthorhombic
Volume
428.10
ų
Cell a
6.6563
Å
Cell b
8.6855
Å
Cell c
8.6855
Å
α angle
79.67
°
β angle
67.47
°
γ angle
67.47
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
LaDy5Ho7
La
1.00 · 7.7%
Dy
5.00 · 38.5%
Ho
7.00 · 53.8%

Energy & Stability

Energy above hull
0.2523
eV/atom
Formation energy
0.2477
eV/atom
Corrected total energy
-56.7753
eV
Raw total energy
-56.7753
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
23.8525
Total magnetisation
-0.0002
μB

Additional Information

Prototype ID

AB5C7_7_spg44

Decomposition

Dy5Ho Dy2Ho7 LaHo2

Computed at

2023-08-07 22:29:18.709159

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: agm006085482).

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 agm006085482
data_agm006085482
_cell_length_a     6.65635
_cell_length_b     8.68548
_cell_length_c     8.68548
_cell_angle_alpha  79.67065
_cell_angle_beta   67.46867
_cell_angle_gamma  67.46868
_cell_volume       428.09750
_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 0.96980 0.03020 0.03020 1.00000
  Dy1 Dy 0.53220 0.00149 0.46355 1.00000
  Dy2 Dy 0.00276 0.00149 0.46355 1.00000
  Dy3 Dy 0.53220 0.46355 0.00149 1.00000
  Dy4 Dy 0.00276 0.46355 0.00149 1.00000
  Dy5 Dy 0.77201 0.72799 0.72799 1.00000
  Ho1 Ho 0.57631 0.42369 0.42369 1.00000
  Ho2 Ho 0.26986 0.73014 0.73014 1.00000
  Ho3 Ho 0.01903 0.31235 0.64959 1.00000
  Ho4 Ho 0.01903 0.64959 0.31235 1.00000
  Ho5 Ho 0.26493 0.23507 0.23507 1.00000
  Ho6 Ho 0.51955 0.81140 0.14951 1.00000
  Ho7 Ho 0.51955 0.14951 0.81140 1.00000
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