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La10Dy4Y

Alexandria ALEX

Alex-ID: agm005996716 · Space group: I4/m (#87)

Basic Information

Formula
La10Dy4Y
Alex-ID
agm005996716
Elements
3
Sites
15
Space group
I4/m (#87)
Crystal system
tetragonal
Volume
552.30
ų
Cell a
10.8284
Å
Cell b
8.9620
Å
Cell c
8.9620
Å
α angle
68.59
°
β angle
52.83
°
γ angle
52.83
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
La10Dy4Y
La
10.00 · 66.7%
Dy
4.00 · 26.7%
Y
1.00 · 6.7%

Energy & Stability

Energy above hull
0.3798
eV/atom
Formation energy
0.3757
eV/atom
Corrected total energy
-68.5169
eV
Raw total energy
-68.5169
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
26.2395
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C10_63_spg87

Decomposition

La5Dy LaDy4 LaY2

Computed at

2023-08-09 02:13:26.797610

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: agm005996716).

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 agm005996716
data_agm005996716
_cell_length_a     10.82842
_cell_length_b     8.96205
_cell_length_c     8.96205
_cell_angle_alpha  68.59436
_cell_angle_beta   52.83401
_cell_angle_gamma  52.83401
_cell_volume       552.29981
_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 0.25000 0.50000 0.50000 1.00000
  La2 La 0.71716 0.35516 0.87731 1.00000
  La3 La 0.92769 0.12269 0.35516 1.00000
  La4 La 0.40553 0.87731 0.64484 1.00000
  La5 La 0.94962 0.64484 0.12269 1.00000
  La6 La 0.28284 0.64484 0.12269 1.00000
  La7 La 0.75000 0.50000 0.50000 1.00000
  La8 La 0.05038 0.35516 0.87731 1.00000
  La9 La 0.59447 0.12269 0.35516 1.00000
  La10 La 0.07231 0.87731 0.64484 1.00000
  Dy1 Dy 0.55796 0.67254 0.21155 1.00000
  Dy2 Dy 0.76951 0.78845 0.67254 1.00000
  Dy3 Dy 0.23049 0.21155 0.32746 1.00000
  Dy4 Dy 0.44204 0.32746 0.78845 1.00000
  Y1 Y 0.00000 0.00000 0.00000 1.00000
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