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Dy8Ho3

Alexandria ALEX

Alex-ID: agm008333073 · Space group: P-1 (#2)

Basic Information

Formula
Dy8Ho3
Alex-ID
agm008333073
Elements
2
Sites
11
Space group
P-1 (#2)
Crystal system
triclinic
Volume
341.84
ų
Cell a
6.1090
Å
Cell b
7.8906
Å
Cell c
7.8953
Å
α angle
107.42
°
β angle
105.00
°
γ angle
97.42
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy8Ho3
Dy
8.00 · 72.7%
Ho
3.00 · 27.3%

Energy & Stability

Energy above hull
0.0239
eV/atom
Formation energy
0.0206
eV/atom
Corrected total energy
-50.3384
eV
Raw total energy
-50.3384
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
15.1034
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B8_107_spg2

Decomposition

Dy5Ho Dy2Ho7

Computed at

2024-05-09 15:25:52.117349

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: agm008333073).

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 agm008333073
data_agm008333073
_cell_length_a     6.10896
_cell_length_b     7.89056
_cell_length_c     7.89534
_cell_angle_alpha  107.41660
_cell_angle_beta   104.99736
_cell_angle_gamma  97.41604
_cell_volume       341.84268
_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 0.68179 0.13642 0.72713 1.00000
  Dy2 Dy 0.04538 0.40923 0.18183 1.00000
  Dy3 Dy 0.31821 0.86358 0.27287 1.00000
  Dy4 Dy 0.59096 0.31820 0.36364 1.00000
  Dy5 Dy 0.22721 0.04549 0.90893 1.00000
  Dy6 Dy 0.40904 0.68180 0.63636 1.00000
  Dy7 Dy 0.77279 0.95451 0.09107 1.00000
  Dy8 Dy 0.95462 0.59077 0.81817 1.00000
  Ho1 Ho 0.86344 0.77268 0.45443 1.00000
  Ho2 Ho 0.50000 0.50000 0.00000 1.00000
  Ho3 Ho 0.13656 0.22732 0.54557 1.00000
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