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Dy6Y2Ho

Alexandria ALEX

Alex-ID: agm033797469 · Space group: C2/m (#12)

Basic Information

Formula
Dy6Y2Ho
Alex-ID
agm033797469
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
284.89
ų
Cell a
9.4919
Å
Cell b
9.4919
Å
Cell c
9.5017
Å
α angle
64.57
°
β angle
115.43
°
γ angle
158.28
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy6Y2Ho
Dy
6.00 · 66.7%
Y
2.00 · 22.2%
Ho
1.00 · 11.1%

Energy & Stability

Energy above hull
0.0047
eV/atom
Formation energy
0.0013
eV/atom
Corrected total energy
-45.1154
eV
Raw total energy
-45.1154
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.3552
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C6_3620_spg2

Decomposition

Dy5Y Dy5Ho DyY5

Computed at

2025-02-06 18:31:50

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: agm033797469).

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 agm033797469
data_agm033797469
_cell_length_a     9.49192
_cell_length_b     9.49192
_cell_length_c     9.50166
_cell_angle_alpha  64.56818
_cell_angle_beta   115.43182
_cell_angle_gamma  158.28197
_cell_volume       284.88859
_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 0.85220 0.14780 0.33508 1.00000
  Dy2 Dy 0.14780 0.85220 0.66492 1.00000
  Dy3 Dy 0.81476 0.18524 0.66577 1.00000
  Dy4 Dy 0.18524 0.81476 0.33423 1.00000
  Dy5 Dy 0.51858 0.48142 0.33316 1.00000
  Dy6 Dy 0.48142 0.51858 0.66684 1.00000
  Y1 Y 0.33373 0.66627 0.99993 1.00000
  Y2 Y 0.66627 0.33373 0.00007 1.00000
  Ho1 Ho 0.00000 0.00000 0.00000 1.00000
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