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Dy3Al8Zn3

Alexandria ALEX

Alex-ID: agm008353070 · Space group: Cm (#8)

Basic Information

Formula
Dy3Al8Zn3
Alex-ID
agm008353070
Elements
3
Sites
14
Space group
Cm (#8)
Crystal system
monoclinic
Volume
263.37
ų
Cell a
8.2952
Å
Cell b
8.2952
Å
Cell c
10.0721
Å
α angle
52.28
°
β angle
127.72
°
γ angle
150.62
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3Al8Zn3
Dy
3.00 · 21.4%
Al
8.00 · 57.1%
Zn
3.00 · 21.4%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.3987
eV/atom
Corrected total energy
-53.1914
eV
Raw total energy
-53.1914
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.4897
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B3C8_152_spg8

Decomposition

Dy3Al8Zn3

Computed at

2025-03-02 06:17:28

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: agm008353070).

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 agm008353070
data_agm008353070
_cell_length_a     8.29524
_cell_length_b     8.29524
_cell_length_c     10.07214
_cell_angle_alpha  52.27510
_cell_angle_beta   127.72490
_cell_angle_gamma  150.61863
_cell_volume       263.36518
_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 0.31418 0.68582 0.31512 1.00000
  Dy2 Dy 0.68205 0.31795 0.68311 1.00000
  Dy3 Dy 0.99884 0.00116 0.99945 1.00000
  Al1 Al 0.50009 0.49991 0.71390 1.00000
  Al2 Al 0.49907 0.50093 0.28587 1.00000
  Al3 Al 0.14604 0.85396 0.41532 1.00000
  Al4 Al 0.85186 0.14814 0.57886 1.00000
  Al5 Al 0.14967 0.85033 0.88307 1.00000
  Al6 Al 0.84767 0.15233 0.11853 1.00000
  Al7 Al 0.99844 0.00156 0.49660 1.00000
  Al8 Al 0.34049 0.65951 0.72387 1.00000
  Zn1 Zn 0.65806 0.34194 0.28159 1.00000
  Zn2 Zn 0.33953 0.66047 0.96666 1.00000
  Zn3 Zn 0.65741 0.34259 0.03806 1.00000
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