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Dy8HoEr3

Alexandria ALEX

Alex-ID: agm050485097 · Space group: C2 (#5)

Basic Information

Formula
Dy8HoEr3
Alex-ID
agm050485097
Elements
3
Sites
12
Space group
C2 (#5)
Crystal system
monoclinic
Volume
370.52
ų
Cell a
6.1285
Å
Cell b
6.1285
Å
Cell c
11.3935
Å
α angle
90.00
°
β angle
90.00
°
γ angle
59.98
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy8HoEr3
Dy
8.00 · 66.7%
Ho
1.00 · 8.3%
Er
3.00 · 25.0%

Energy & Stability

Energy above hull
0.0077
eV/atom
Formation energy
0.0040
eV/atom
Corrected total energy
-55.0489
eV
Raw total energy
-55.0489
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0081
eV
DOS at Fermi level
14.7396
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB3C8_943_spg5

Decomposition

Dy5Er4 HoEr5 Dy5Ho

Computed at

2025-01-29 18:15:33

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: agm050485097).

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 agm050485097
data_agm050485097
_cell_length_a     6.12854
_cell_length_b     6.12854
_cell_length_c     11.39347
_cell_angle_alpha  89.99894
_cell_angle_beta   90.00106
_cell_angle_gamma  59.97945
_cell_volume       370.51937
_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 0.49981 0.16734 0.25011 1.00000
  Dy2 Dy 0.50061 0.50061 0.00000 1.00000
  Dy3 Dy 0.16631 0.83431 0.25011 1.00000
  Dy4 Dy 0.83431 0.16631 0.74989 1.00000
  Dy5 Dy 0.16696 0.16696 0.00000 1.00000
  Dy6 Dy 0.83332 0.83332 0.50000 1.00000
  Dy7 Dy 0.50066 0.50066 0.50000 1.00000
  Dy8 Dy 0.16734 0.49981 0.74989 1.00000
  Ho1 Ho 0.83334 0.83334 0.00000 1.00000
  Er1 Er 0.83377 0.50036 0.25010 1.00000
  Er2 Er 0.50036 0.83377 0.74990 1.00000
  Er3 Er 0.16699 0.16699 0.50000 1.00000
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