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Dy2Al5Pt4

Alexandria ALEX

Alex-ID: agm005666040 · Space group: Fmmm (#69)

Basic Information

Formula
Dy2Al5Pt4
Alex-ID
agm005666040
Elements
3
Sites
11
Space group
Fmmm (#69)
Crystal system
orthorhombic
Volume
202.97
ų
Cell a
5.4040
Å
Cell b
5.3700
Å
Cell c
8.5324
Å
α angle
80.83
°
β angle
71.54
°
γ angle
59.79
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Al5Pt4
Dy
2.00 · 18.2%
Al
5.00 · 45.5%
Pt
4.00 · 36.4%

Energy & Stability

Energy above hull
0.0830
eV/atom
Formation energy
-1.0018
eV/atom
Corrected total energy
-63.3074
eV
Raw total energy
-63.3074
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.7752
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B4C5_154_spg69

Decomposition

Dy3Al6Pt5 Dy2Al3Pt4 DyAl5Pt3

Computed at

2023-06-21 09:42:55.961926

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: agm005666040).

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 agm005666040
data_agm005666040
_cell_length_a     5.40402
_cell_length_b     5.37002
_cell_length_c     8.53245
_cell_angle_alpha  80.83144
_cell_angle_beta   71.53807
_cell_angle_gamma  59.79037
_cell_volume       202.96881
_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
  Dy1 Dy 0.87283 1.00000 0.25434 1.00000
  Dy2 Dy 0.12717 0.00000 0.74566 1.00000
  Al1 Al 0.50000 0.00000 0.00000 1.00000
  Al2 Al 0.00000 0.50000 0.00000 1.00000
  Al3 Al 0.50000 0.50000 0.00000 1.00000
  Al4 Al 0.25000 0.50000 0.50000 1.00000
  Al5 Al 0.75000 0.50000 0.50000 1.00000
  Pt1 Pt 0.47089 0.31825 0.73998 1.00000
  Pt2 Pt 0.52911 0.68175 0.26002 1.00000
  Pt3 Pt 0.21086 0.31825 0.26002 1.00000
  Pt4 Pt 0.78914 0.68175 0.73998 1.00000
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