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Dy4Mg5Al2

Alexandria ALEX

Alex-ID: agm003367992 · Space group: P2/m (#10)

Basic Information

Formula
Dy4Mg5Al2
Alex-ID
agm003367992
Elements
3
Sites
11
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
281.78
ų
Cell a
3.4812
Å
Cell b
7.9944
Å
Cell c
10.1524
Å
α angle
94.20
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4Mg5Al2
Dy
4.00 · 36.4%
Mg
5.00 · 45.5%
Al
2.00 · 18.2%

Energy & Stability

Energy above hull
0.0727
eV/atom
Formation energy
-0.1382
eV/atom
Corrected total energy
-35.3996
eV
Raw total energy
-35.3996
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0303
eV
DOS at Fermi level
9.6139
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B4C5_108_spg10

Decomposition

DyMgAl DyMg3 Dy2MgAl

Computed at

2022-02-05 08:20:53.305566

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: agm003367992).

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 agm003367992
data_agm003367992
_cell_length_a     3.48120
_cell_length_b     7.99441
_cell_length_c     10.15238
_cell_angle_alpha  94.20418
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       281.78175
_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 0.50000 0.73547 0.55615 1.00000
  Dy2 Dy 0.50000 0.15686 0.87473 1.00000
  Dy3 Dy 0.50000 0.26453 0.44385 1.00000
  Dy4 Dy 0.50000 0.84314 0.12527 1.00000
  Mg1 Mg 0.00000 0.57211 0.29832 1.00000
  Mg2 Mg 0.00000 0.19146 0.16420 1.00000
  Mg3 Mg 0.00000 0.50000 0.00000 1.00000
  Mg4 Mg 0.00000 0.80854 0.83580 1.00000
  Mg5 Mg 0.00000 0.42789 0.70168 1.00000
  Al1 Al 0.00000 0.05536 0.62866 1.00000
  Al2 Al 0.00000 0.94464 0.37134 1.00000
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