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DyHo6Mg

Alexandria ALEX

Alex-ID: agm005774296 · Space group: C2/m (#12)

Basic Information

Formula
DyHo6Mg
Alex-ID
agm005774296
Elements
3
Sites
8
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
242.03
ų
Cell a
5.2841
Å
Cell b
6.3708
Å
Cell c
8.6955
Å
α angle
67.25
°
β angle
72.31
°
γ angle
65.50
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
DyHo6Mg
Dy
1.00 · 12.5%
Ho
6.00 · 75.0%
Mg
1.00 · 12.5%

Energy & Stability

Energy above hull
0.0644
eV/atom
Formation energy
0.0393
eV/atom
Corrected total energy
-33.3547
eV
Raw total energy
-33.3547
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.8105
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC6_263_spg12

Decomposition

DyHo8 Ho2Mg Dy2Ho7

Computed at

2023-07-24 23:16:56.827994

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: agm005774296).

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 agm005774296
data_agm005774296
_cell_length_a     5.28415
_cell_length_b     6.37078
_cell_length_c     8.69555
_cell_angle_alpha  67.25097
_cell_angle_beta   72.31142
_cell_angle_gamma  65.49854
_cell_volume       242.02997
_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 0.00000 0.50000 0.50000 1.00000
  Ho1 Ho 0.25040 0.85715 0.64207 1.00000
  Ho2 Ho 0.50902 0.20934 0.77262 1.00000
  Ho3 Ho 0.22482 0.43201 0.11834 1.00000
  Ho4 Ho 0.49098 0.79066 0.22738 1.00000
  Ho5 Ho 0.74960 0.14285 0.35793 1.00000
  Ho6 Ho 0.77518 0.56799 0.88166 1.00000
  Mg1 Mg 0.00000 0.00000 0.00000 1.00000
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