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Dy(Y5Ho)2

Alexandria ALEX

Alex-ID: agm003385941 · Space group: Fmmm (#69)

Basic Information

Formula
Dy(Y5Ho)2
Alex-ID
agm003385941
Elements
3
Sites
13
Space group
Fmmm (#69)
Crystal system
orthorhombic
Volume
439.27
ų
Cell a
6.5340
Å
Cell b
8.4560
Å
Cell c
9.2179
Å
α angle
82.13
°
β angle
69.24
°
γ angle
67.27
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy(Y5Ho)2
Dy
1.00 · 7.7%
Y
10.00 · 76.9%
Ho
2.00 · 15.4%

Energy & Stability

Energy above hull
0.2958
eV/atom
Formation energy
0.2905
eV/atom
Corrected total energy
-74.6153
eV
Raw total energy
-74.6153
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0005
eV
DOS at Fermi level
30.7092
Total magnetisation
0.0131
μB

Additional Information

Prototype ID

AB2C10_0_spg69

Decomposition

Y5Ho Dy5Ho DyY5

Computed at

2022-02-12 12:20:03.864287

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: agm003385941).

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 agm003385941
data_agm003385941
_cell_length_a     6.53401
_cell_length_b     8.45604
_cell_length_c     9.21795
_cell_angle_alpha  82.12977
_cell_angle_beta   69.24223
_cell_angle_gamma  67.27233
_cell_volume       439.26796
_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 0.00000 0.00000 1.00000
  Y1 Y 0.35099 0.63652 0.66150 1.00000
  Y2 Y 0.64901 0.36348 0.33850 1.00000
  Y3 Y 0.98751 0.36348 0.66150 1.00000
  Y4 Y 0.01249 0.63652 0.33850 1.00000
  Y5 Y 0.00000 0.00000 0.50000 1.00000
  Y6 Y 0.50000 0.00000 0.50000 1.00000
  Y7 Y 0.29528 0.20714 0.20229 1.00000
  Y8 Y 0.70472 0.79286 0.79771 1.00000
  Y9 Y 0.50243 0.79286 0.20229 1.00000
  Y10 Y 0.49757 0.20714 0.79771 1.00000
  Ho1 Ho 0.00000 0.50000 0.00000 1.00000
  Ho2 Ho 0.50000 0.50000 0.00000 1.00000
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