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Dy6HoMg

Alexandria ALEX

Alex-ID: agm005774286 · Space group: C2/m (#12)

Basic Information

Formula
Dy6HoMg
Alex-ID
agm005774286
Elements
3
Sites
8
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
243.30
ų
Cell a
4.9899
Å
Cell b
6.0520
Å
Cell c
9.2515
Å
α angle
77.44
°
β angle
74.35
°
γ angle
65.65
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy6HoMg
Dy
6.00 · 75.0%
Ho
1.00 · 12.5%
Mg
1.00 · 12.5%

Energy & Stability

Energy above hull
0.0522
eV/atom
Formation energy
0.0268
eV/atom
Corrected total energy
-33.5810
eV
Raw total energy
-33.5810
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.3591
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

ABC6_274_spg12

Decomposition

DyHoMg Dy5Ho Dy2Mg

Computed at

2023-07-24 23:10:34.487656

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: agm005774286).

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 agm005774286
data_agm005774286
_cell_length_a     4.98993
_cell_length_b     6.05200
_cell_length_c     9.25148
_cell_angle_alpha  77.44101
_cell_angle_beta   74.35425
_cell_angle_gamma  65.65381
_cell_volume       243.30440
_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 0.25013 0.87270 0.62706 1.00000
  Dy2 Dy 0.50149 0.24703 0.75001 1.00000
  Dy3 Dy 0.24565 0.38479 0.12389 1.00000
  Dy4 Dy 0.49851 0.75297 0.24999 1.00000
  Dy5 Dy 0.74987 0.12730 0.37294 1.00000
  Dy6 Dy 0.75435 0.61521 0.87611 1.00000
  Ho1 Ho 0.00000 0.50000 0.50000 1.00000
  Mg1 Mg 0.00000 0.00000 0.00000 1.00000
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