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La3Dy3Y2

Alexandria ALEX

Alex-ID: agm003328362 · Space group: Immm (#71)

Alexandria Database API

Basic Information

Formula
La3Dy3Y2
Alex-ID
agm003328362
Elements
3
Sites
8
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
270.46
ų
Cell a
5.0722
Å
Cell b
5.1588
Å
Cell c
10.9509
Å
α angle
103.62
°
β angle
103.39
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La3Dy3Y2
La
3.00 · 37.5%
Dy
3.00 · 37.5%
Y
2.00 · 25.0%

Energy & Stability

Energy above hull
0.0393
eV/atom
Formation energy
0.0314
eV/atom
Corrected total energy
-41.2685
eV
Raw total energy
-41.2685
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0021
eV
DOS at Fermi level
13.9902
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C3_15_spg12

Decomposition

La5Dy LaDy4 LaY2

Computed at

2022-01-23 02:07:55.020964

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: agm003328362).

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 agm003328362
data_agm003328362
_cell_length_a     5.07222
_cell_length_b     5.15882
_cell_length_c     10.95085
_cell_angle_alpha  103.62370
_cell_angle_beta   103.39070
_cell_angle_gamma  90.00000
_cell_volume       270.46236
_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 0.62366 0.62366 0.24732 1.00000
  La2 La 0.37634 0.37634 0.75268 1.00000
  La3 La 0.50000 0.00000 0.00000 1.00000
  Dy1 Dy 0.12721 0.12721 0.25442 1.00000
  Dy2 Dy 0.00000 0.50000 0.00000 1.00000
  Dy3 Dy 0.87279 0.87279 0.74558 1.00000
  Y1 Y 0.74872 0.24872 0.49743 1.00000
  Y2 Y 0.25128 0.75128 0.50257 1.00000
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