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La2Dy4Y

Alexandria ALEX

Alex-ID: agm017361262 · Space group: I4/mmm (#139)

Alexandria Database API

Basic Information

Formula
La2Dy4Y
Alex-ID
agm017361262
Elements
3
Sites
7
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
232.34
ų
Cell a
17.9320
Å
Cell b
17.9320
Å
Cell c
17.9320
Å
α angle
168.42
°
β angle
168.42
°
γ angle
16.40
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La2Dy4Y
La
2.00 · 28.6%
Dy
4.00 · 57.1%
Y
1.00 · 14.3%

Energy & Stability

Energy above hull
0.0349
eV/atom
Formation energy
0.0283
eV/atom
Corrected total energy
-34.5348
eV
Raw total energy
-34.5348
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.3444
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_2510_spg71

Decomposition

La5Dy LaDy4 LaY2

Computed at

2025-05-18 10:06:03

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: agm017361262).

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 agm017361262
data_agm017361262
_cell_length_a     17.93196
_cell_length_b     17.93196
_cell_length_c     17.93196
_cell_angle_alpha  168.41983
_cell_angle_beta   168.41983
_cell_angle_gamma  16.40495
_cell_volume       232.33929
_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 0.57349 0.57349 1.00000 1.00000
  La2 La 0.42651 0.42651 0.00000 1.00000
  Dy1 Dy 0.71546 0.71546 1.00000 1.00000
  Dy2 Dy 0.28454 0.28454 0.00000 1.00000
  Dy3 Dy 0.85346 0.85346 0.00000 1.00000
  Dy4 Dy 0.14654 0.14654 1.00000 1.00000
  Y1 Y 0.00000 0.00000 0.00000 1.00000
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