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Dy4Al

Alexandria ALEX

Alex-ID: agm008094486 · Space group: I4/mmm (#139)

Basic Information

Formula
Dy4Al
Alex-ID
agm008094486
Elements
2
Sites
5
Space group
I4/mmm (#139)
Crystal system
tetragonal
Volume
142.45
ų
Cell a
11.7778
Å
Cell b
11.7778
Å
Cell c
11.7778
Å
α angle
162.82
°
β angle
162.82
°
γ angle
24.38
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4Al
Dy
4.00 · 80.0%
Al
1.00 · 20.0%

Energy & Stability

Energy above hull
0.0318
eV/atom
Formation energy
-0.1421
eV/atom
Corrected total energy
-22.8712
eV
Raw total energy
-22.8712
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.0917
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4_3_spg139

Decomposition

Dy2Al Dy

Computed at

2024-04-21 06:49:06.326163

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: agm008094486).

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 agm008094486
data_agm008094486
_cell_length_a     11.77784
_cell_length_b     11.77784
_cell_length_c     11.77784
_cell_angle_alpha  162.82312
_cell_angle_beta   162.82312
_cell_angle_gamma  24.38452
_cell_volume       142.45468
_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 0.58356 0.58356 0.00000 1.00000
  Dy2 Dy 0.19585 0.19585 0.00000 1.00000
  Dy3 Dy 0.80415 0.80415 0.00000 1.00000
  Dy4 Dy 0.41644 0.41644 0.00000 1.00000
  Al1 Al 0.00000 0.00000 0.00000 1.00000
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