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Dy8Al2Ni

Alexandria ALEX

Alex-ID: agm003530571 · Space group: C2/m (#12)

Basic Information

Formula
Dy8Al2Ni
Alex-ID
agm003530571
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
292.81
ų
Cell a
4.9938
Å
Cell b
6.5834
Å
Cell c
9.4578
Å
α angle
102.04
°
β angle
105.31
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy8Al2Ni
Dy
8.00 · 72.7%
Al
2.00 · 18.2%
Ni
1.00 · 9.1%

Energy & Stability

Energy above hull
0.0698
eV/atom
Formation energy
-0.1894
eV/atom
Corrected total energy
-52.1883
eV
Raw total energy
-52.1883
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0189
eV
DOS at Fermi level
11.5226
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C8_259_spg8

Decomposition

Dy2Al Dy14(AlNi)3 Dy

Computed at

2022-03-13 15:56:07.166951

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: agm003530571).

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 agm003530571
data_agm003530571
_cell_length_a     4.99379
_cell_length_b     6.58336
_cell_length_c     9.45784
_cell_angle_alpha  102.03921
_cell_angle_beta   105.30769
_cell_angle_gamma  90.00000
_cell_volume       292.80712
_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 0.40765 0.54296 0.81529 1.00000
  Dy2 Dy 0.64735 0.97537 0.29470 1.00000
  Dy3 Dy 0.78970 0.69608 0.57940 1.00000
  Dy4 Dy 0.98003 0.22207 0.96005 1.00000
  Dy5 Dy 0.21030 0.30392 0.42060 1.00000
  Dy6 Dy 0.35265 0.02463 0.70530 1.00000
  Dy7 Dy 0.59235 0.45704 0.18471 1.00000
  Dy8 Dy 0.01997 0.77793 0.03995 1.00000
  Al1 Al 0.81154 0.24550 0.62307 1.00000
  Al2 Al 0.18846 0.75450 0.37693 1.00000
  Ni1 Ni 0.50000 0.00000 0.00000 1.00000
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