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Dy5Mg

Alexandria ALEX

Alex-ID: agm005545751 · Space group: C2/m (#12)

Basic Information

Formula
Dy5Mg
Alex-ID
agm005545751
Elements
2
Sites
6
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
181.41
ų
Cell a
3.7421
Å
Cell b
6.3995
Å
Cell c
8.5519
Å
α angle
111.13
°
β angle
90.00
°
γ angle
107.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5Mg
Dy
5.00 · 83.3%
Mg
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0434
eV/atom
Formation energy
0.0123
eV/atom
Corrected total energy
-24.5396
eV
Raw total energy
-24.5396
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.9746
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB5_238_spg8

Decomposition

Dy2Mg Dy

Computed at

2023-05-29 05:25:33.505802

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: agm005545751).

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 agm005545751
data_agm005545751
_cell_length_a     3.74214
_cell_length_b     6.39952
_cell_length_c     8.55187
_cell_angle_alpha  111.12519
_cell_angle_beta   90.00000
_cell_angle_gamma  107.00028
_cell_volume       181.40918
_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 0.04652 0.09305 0.03634 1.00000
  Dy2 Dy 0.69390 0.38780 0.38826 1.00000
  Dy3 Dy 0.34175 0.68350 0.74001 1.00000
  Dy4 Dy 0.36515 0.73029 0.20005 1.00000
  Dy5 Dy 0.02421 0.04843 0.57918 1.00000
  Mg1 Mg 0.69513 0.39027 0.88950 1.00000
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