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Dy7YHo4

Alexandria ALEX

Alex-ID: agm059489740 · Space group: P2/m (#10)

Basic Information

Formula
Dy7YHo4
Alex-ID
agm059489740
Elements
3
Sites
12
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
377.25
ų
Cell a
6.1747
Å
Cell b
7.1447
Å
Cell c
8.7952
Å
α angle
90.00
°
β angle
103.53
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy7YHo4
Dy
7.00 · 58.3%
Y
1.00 · 8.3%
Ho
4.00 · 33.3%

Energy & Stability

Energy above hull
0.0050
eV/atom
Formation energy
0.0015
eV/atom
Corrected total energy
-56.9855
eV
Raw total energy
-56.9855
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0261
eV
DOS at Fermi level
16.6716
Total magnetisation
0.0004
μB

Additional Information

Prototype ID

AB4C7_429_spg1

Decomposition

Dy2Ho7 Y5Ho Dy5Ho

Computed at

2025-01-07 05:51:18

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: agm059489740).

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 agm059489740
data_agm059489740
_cell_length_a     6.17471
_cell_length_b     7.14469
_cell_length_c     8.79521
_cell_angle_alpha  90.00000
_cell_angle_beta   103.52661
_cell_angle_gamma  90.00000
_cell_volume       377.25014
_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 0.00000 0.25068 0.00000 1.00000
  Dy2 Dy 0.00000 0.74932 0.00000 1.00000
  Dy3 Dy 0.72293 0.00000 0.66531 1.00000
  Dy4 Dy 0.27707 0.00000 0.33469 1.00000
  Dy5 Dy 0.27848 0.50000 0.33381 1.00000
  Dy6 Dy 0.50000 0.50000 0.00000 1.00000
  Dy7 Dy 0.72152 0.50000 0.66619 1.00000
  Y1 Y 0.50000 0.00000 0.00000 1.00000
  Ho1 Ho 0.77841 0.25044 0.33448 1.00000
  Ho2 Ho 0.22159 0.74956 0.66552 1.00000
  Ho3 Ho 0.22159 0.25044 0.66552 1.00000
  Ho4 Ho 0.77841 0.74956 0.33448 1.00000
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