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Dy2Y2Ho5

Alexandria ALEX

Alex-ID: agm009337168 · Space group: C2/m (#12)

Basic Information

Formula
Dy2Y2Ho5
Alex-ID
agm009337168
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
281.93
ų
Cell a
6.1318
Å
Cell b
6.1318
Å
Cell c
10.6057
Å
α angle
73.28
°
β angle
73.28
°
γ angle
48.16
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Y2Ho5
Dy
2.00 · 22.2%
Y
2.00 · 22.2%
Ho
5.00 · 55.6%

Energy & Stability

Energy above hull
0.0256
eV/atom
Formation energy
0.0216
eV/atom
Corrected total energy
-44.8316
eV
Raw total energy
-44.8316
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.4748
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C5_920_spg8

Decomposition

Dy2Ho7 Y5Ho Dy5Ho

Computed at

2024-05-15 21:54:02.134728

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: agm009337168).

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 agm009337168
data_agm009337168
_cell_length_a     6.13175
_cell_length_b     6.13175
_cell_length_c     10.60571
_cell_angle_alpha  73.27559
_cell_angle_beta   73.27559
_cell_angle_gamma  48.15815
_cell_volume       281.92728
_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 0.66636 0.66636 0.44519 1.00000
  Dy2 Dy 0.33364 0.33364 0.55481 1.00000
  Y1 Y 0.66565 0.66565 0.11181 1.00000
  Y2 Y 0.33435 0.33435 0.88819 1.00000
  Ho1 Ho 0.66714 0.66714 0.77682 1.00000
  Ho2 Ho 0.33286 0.33286 0.22318 1.00000
  Ho3 Ho 0.00091 0.00091 0.66612 1.00000
  Ho4 Ho 0.99909 0.99909 0.33388 1.00000
  Ho5 Ho 0.00000 0.00000 0.00000 1.00000
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