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La2Dy5Y2

Alexandria ALEX

Alex-ID: agm008744281 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
La2Dy5Y2
Alex-ID
agm008744281
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
300.42
ų
Cell a
6.5799
Å
Cell b
6.5799
Å
Cell c
13.5952
Å
α angle
72.55
°
β angle
72.55
°
γ angle
32.50
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2Dy5Y2
La
2.00 · 22.2%
Dy
5.00 · 55.6%
Y
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0590
eV/atom
Formation energy
0.0515
eV/atom
Corrected total energy
-45.3357
eV
Raw total energy
-45.3357
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
14.9285
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C5_962_spg12

Decomposition

Dy5Y LaDy4 LaY2

Computed at

2024-05-15 23:13:05.816252

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: agm008744281).

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 agm008744281
data_agm008744281
_cell_length_a     6.57993
_cell_length_b     6.57993
_cell_length_c     13.59517
_cell_angle_alpha  72.55425
_cell_angle_beta   72.55425
_cell_angle_gamma  32.49736
_cell_volume       300.42182
_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 0.32836 0.32836 0.37099 1.00000
  La2 La 0.67164 0.67164 0.62901 1.00000
  Dy1 Dy 0.69985 0.69985 0.91729 1.00000
  Dy2 Dy 0.30015 0.30015 0.08271 1.00000
  Dy3 Dy 0.37376 0.37376 0.71483 1.00000
  Dy4 Dy 0.62624 0.62624 0.28517 1.00000
  Dy5 Dy 0.00000 0.00000 0.50000 1.00000
  Y1 Y 0.01029 0.01029 0.13027 1.00000
  Y2 Y 0.98971 0.98971 0.86973 1.00000
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