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Dy8Mg4Ir

Alexandria ALEX

Alex-ID: agm097936047 · Space group: Pm (#6)

Basic Information

Formula
Dy8Mg4Ir
Alex-ID
agm097936047
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
375.28
ų
Cell a
10.3834
Å
Cell b
3.7020
Å
Cell c
10.5356
Å
α angle
90.00
°
β angle
112.08
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy8Mg4Ir
Dy
8.00 · 61.5%
Mg
4.00 · 30.8%
Ir
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1671
eV/atom
Formation energy
-0.0705
eV/atom
Corrected total energy
-52.9862
eV
Raw total energy
-52.9862
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
16.4836
Total magnetisation
0.0004
μB

Additional Information

Prototype ID

AB4C8_1756_spg8

Decomposition

Dy2Mg Dy4MgIr DyMg

Computed at

2025-06-16 15:23:25

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: agm097936047).

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 agm097936047
data_agm097936047
_cell_length_a     10.38336
_cell_length_b     3.70199
_cell_length_c     10.53559
_cell_angle_alpha  90.00000
_cell_angle_beta   112.07746
_cell_angle_gamma  90.00000
_cell_volume       375.28394
_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 0.87796 0.50000 0.13757 1.00000
  Dy2 Dy 0.26523 0.50000 0.15899 1.00000
  Dy3 Dy 0.38074 0.50000 0.66894 1.00000
  Dy4 Dy 0.70652 0.50000 0.59391 1.00000
  Dy5 Dy 0.13450 0.00000 0.38921 1.00000
  Dy6 Dy 0.72281 0.00000 0.32410 1.00000
  Dy7 Dy 0.67742 0.00000 0.85750 1.00000
  Dy8 Dy 0.22236 0.00000 0.85180 1.00000
  Mg1 Mg 0.97044 0.50000 0.87954 1.00000
  Mg2 Mg 0.51655 0.50000 0.02750 1.00000
  Mg3 Mg 0.45758 0.00000 0.42822 1.00000
  Mg4 Mg 0.01264 0.50000 0.58348 1.00000
  Ir1 Ir 0.05524 0.00000 0.09922 1.00000
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