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Dy5Ho6Mg

Alexandria ALEX

Alex-ID: agm006114564 · Space group: Immm (#71)

Basic Information

Formula
Dy5Ho6Mg
Alex-ID
agm006114564
Elements
3
Sites
12
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
366.66
ų
Cell a
4.9666
Å
Cell b
9.2776
Å
Cell c
9.2776
Å
α angle
106.53
°
β angle
105.50
°
γ angle
105.50
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5Ho6Mg
Mg
1.00 · 8.3%
Ho
6.00 · 50.0%
Dy
5.00 · 41.7%

Energy & Stability

Energy above hull
0.0417
eV/atom
Formation energy
0.0234
eV/atom
Corrected total energy
-51.8039
eV
Raw total energy
-51.8039
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
16.8714
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB5C6_50_spg71

Decomposition

DyHoMg Dy5Ho Dy2Ho7

Computed at

2023-09-01 01:10:33.332228

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: agm006114564).

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 agm006114564
data_agm006114564
_cell_length_a     4.96658
_cell_length_b     9.27764
_cell_length_c     9.27764
_cell_angle_alpha  106.53131
_cell_angle_beta   105.49712
_cell_angle_gamma  105.49709
_cell_volume       366.65898
_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
  Mg1 Mg 0.00000 0.00000 0.00000 1.00000
  Ho1 Ho 0.24819 0.08088 0.41548 1.00000
  Ho2 Ho 0.75181 0.58452 0.91912 1.00000
  Ho3 Ho 0.75014 0.25021 0.25021 1.00000
  Ho4 Ho 0.24986 0.74979 0.74979 1.00000
  Ho5 Ho 0.24819 0.41548 0.08088 1.00000
  Ho6 Ho 0.75181 0.91912 0.58452 1.00000
  Dy1 Dy 0.50000 0.16712 0.83288 1.00000
  Dy2 Dy 1.00000 0.33435 0.66565 1.00000
  Dy3 Dy 0.50000 0.50000 0.50000 1.00000
  Dy4 Dy 0.00000 0.66565 0.33435 1.00000
  Dy5 Dy 0.50000 0.83288 0.16712 1.00000
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