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Dy5HoNi2

Alexandria ALEX

Alex-ID: agm006017952 · Space group: Cmcm (#63)

Basic Information

Formula
Dy5HoNi2
Alex-ID
agm006017952
Elements
3
Sites
16
Space group
Cmcm (#63)
Crystal system
orthorhombic
Volume
432.74
ų
Cell a
3.6332
Å
Cell b
6.7677
Å
Cell c
18.2698
Å
α angle
90.00
°
β angle
90.00
°
γ angle
105.57
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5HoNi2
Dy
10.00 · 62.5%
Ho
2.00 · 12.5%
Ni
4.00 · 25.0%

Energy & Stability

Energy above hull
0.0941
eV/atom
Formation energy
-0.1544
eV/atom
Corrected total energy
-80.7997
eV
Raw total energy
-80.7997
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0276
eV
DOS at Fermi level
20.0012
Total magnetisation
0.0008
μB

Additional Information

Prototype ID

AB2C5_1103_spg11

Decomposition

DyHo2Ni Dy3Ni

Computed at

2023-09-02 06:11:36

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: agm006017952).

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 agm006017952
data_agm006017952
_cell_length_a     3.63320
_cell_length_b     6.76768
_cell_length_c     18.26981
_cell_angle_alpha  89.99924
_cell_angle_beta   90.00000
_cell_angle_gamma  105.57046
_cell_volume       432.73843
_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 0.93863 0.87726 0.91436 1.00000
  Dy2 Dy 0.93863 0.87725 0.58564 1.00000
  Dy3 Dy 0.32357 0.64714 0.43747 1.00000
  Dy4 Dy 0.32357 0.64714 0.06253 1.00000
  Dy5 Dy 0.55023 0.10047 0.25000 1.00000
  Dy6 Dy 0.44977 0.89953 0.75000 1.00000
  Dy7 Dy 0.67643 0.35286 0.56253 1.00000
  Dy8 Dy 0.67643 0.35286 0.93747 1.00000
  Dy9 Dy 0.06137 0.12274 0.08564 1.00000
  Dy10 Dy 0.06137 0.12275 0.41436 1.00000
  Ho1 Ho 0.72821 0.45642 0.75000 1.00000
  Ho2 Ho 0.27179 0.54358 0.25000 1.00000
  Ni1 Ni 0.70009 0.40018 0.36071 1.00000
  Ni2 Ni 0.70009 0.40018 0.13929 1.00000
  Ni3 Ni 0.29991 0.59982 0.63929 1.00000
  Ni4 Ni 0.29991 0.59982 0.86071 1.00000
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