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Dy2AlPd2

Alexandria ALEX

Alex-ID: agm002250239 · Space group: Immm (#71)

Basic Information

Formula
Dy2AlPd2
Alex-ID
agm002250239
Elements
3
Sites
5
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
105.39
ų
Cell a
4.3551
Å
Cell b
5.5678
Å
Cell c
5.5678
Å
α angle
61.19
°
β angle
66.98
°
γ angle
66.98
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2AlPd2
Al
1.00 · 20.0%
Pd
2.00 · 40.0%
Dy
2.00 · 40.0%

Energy & Stability

Energy above hull
0.0308
eV/atom
Formation energy
-0.8662
eV/atom
Corrected total energy
-27.6697
eV
Raw total energy
-27.6697
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.2363
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_2_spg71

Decomposition

DyAlPd DyPd

Computed at

2018-08-26 10:25:30

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: agm002250239).

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 agm002250239
data_agm002250239
_cell_length_a     4.35514
_cell_length_b     5.56784
_cell_length_c     5.56784
_cell_angle_alpha  61.19336
_cell_angle_beta   66.97715
_cell_angle_gamma  66.97717
_cell_volume       105.38874
_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
  Al1 Al 0.00000 0.00000 0.00000 1.00000
  Pd1 Pd 0.50000 0.25893 0.74107 1.00000
  Pd2 Pd 0.50000 0.74107 0.25893 1.00000
  Dy1 Dy 0.79881 0.70119 0.70119 1.00000
  Dy2 Dy 0.20119 0.29881 0.29881 1.00000
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