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Dy2Ho5

Alexandria ALEX

Alex-ID: agm007802774 · Space group: C2/m (#12)

Basic Information

Formula
Dy2Ho5
Alex-ID
agm007802774
Elements
2
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
216.02
ų
Cell a
7.8795
Å
Cell b
7.8795
Å
Cell c
8.6363
Å
α angle
68.62
°
β angle
68.62
°
γ angle
25.75
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Ho5
Dy
2.00 · 28.6%
Ho
5.00 · 71.4%

Energy & Stability

Energy above hull
0.0250
eV/atom
Formation energy
0.0216
eV/atom
Corrected total energy
-31.9491
eV
Raw total energy
-31.9491
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.6787
Total magnetisation
-0.0003
μB

Additional Information

Prototype ID

A2B5_225_spg12

Decomposition

Dy5Ho Dy2Ho7

Computed at

2024-05-09 14:42:44.101126

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: agm007802774).

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 agm007802774
data_agm007802774
_cell_length_a     7.87948
_cell_length_b     7.87948
_cell_length_c     8.63627
_cell_angle_alpha  68.62340
_cell_angle_beta   68.62340
_cell_angle_gamma  25.74628
_cell_volume       216.02221
_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 0.85730 0.85730 0.42825 1.00000
  Dy2 Dy 0.14270 0.14270 0.57175 1.00000
  Ho1 Ho 0.28568 0.28568 0.14246 1.00000
  Ho2 Ho 0.71432 0.71432 0.85754 1.00000
  Ho3 Ho 0.00000 0.00000 0.00000 1.00000
  Ho4 Ho 0.57152 0.57152 0.28522 1.00000
  Ho5 Ho 0.42848 0.42848 0.71478 1.00000
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