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Sr2Dy2Al5

Alexandria ALEX

Alex-ID: agm009250146 · Space group: C2/m (#12)

Basic Information

Formula
Sr2Dy2Al5
Alex-ID
agm009250146
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
235.29
ų
Cell a
8.0552
Å
Cell b
8.0552
Å
Cell c
7.2025
Å
α angle
66.36
°
β angle
66.36
°
γ angle
33.67
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr2Dy2Al5
Sr
2.00 · 22.2%
Dy
2.00 · 22.2%
Al
5.00 · 55.6%

Energy & Stability

Energy above hull
0.1578
eV/atom
Formation energy
-0.2377
eV/atom
Corrected total energy
-33.4539
eV
Raw total energy
-33.4539
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.6376
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C5_376_spg12

Decomposition

Sr7Al10 DyAl2 Sr

Computed at

2024-05-28 07:05:24.404557

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: agm009250146).

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 agm009250146
data_agm009250146
_cell_length_a     8.05518
_cell_length_b     8.05518
_cell_length_c     7.20254
_cell_angle_alpha  66.35891
_cell_angle_beta   66.35891
_cell_angle_gamma  33.67446
_cell_volume       235.29001
_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
  Sr1 Sr 0.32711 0.32711 0.79412 1.00000
  Sr2 Sr 0.67289 0.67289 0.20588 1.00000
  Dy1 Dy 0.56438 0.56438 0.74265 1.00000
  Dy2 Dy 0.43562 0.43562 0.25735 1.00000
  Al1 Al 0.80128 0.80128 0.46608 1.00000
  Al2 Al 0.19872 0.19872 0.53392 1.00000
  Al3 Al 0.91736 0.91736 0.99082 1.00000
  Al4 Al 0.08264 0.08264 0.00918 1.00000
  Al5 Al 0.00000 0.00000 0.50000 1.00000
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