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Dy3Ho5

Alexandria ALEX

Alex-ID: agm009695437 · Space group: Immm (#71)

Basic Information

Formula
Dy3Ho5
Alex-ID
agm009695437
Elements
2
Sites
8
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
247.13
ų
Cell a
10.5558
Å
Cell b
10.5558
Å
Cell c
10.5558
Å
α angle
152.69
°
β angle
152.69
°
γ angle
39.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3Ho5
Dy
3.00 · 37.5%
Ho
5.00 · 62.5%

Energy & Stability

Energy above hull
0.0238
eV/atom
Formation energy
0.0204
eV/atom
Corrected total energy
-36.5403
eV
Raw total energy
-36.5403
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0006
eV
DOS at Fermi level
10.5641
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B5_368_spg5

Decomposition

Dy5Ho Dy2Ho7

Computed at

2024-05-27 05:16:20.446486

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: agm009695437).

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 agm009695437
data_agm009695437
_cell_length_a     10.55581
_cell_length_b     10.55581
_cell_length_c     10.55581
_cell_angle_alpha  152.69347
_cell_angle_beta   152.69032
_cell_angle_gamma  39.00376
_cell_volume       247.12548
_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 0.87490 0.37490 0.50000 1.00000
  Dy2 Dy 0.50000 0.50000 0.00000 1.00000
  Dy3 Dy 0.12510 0.62510 0.50000 1.00000
  Ho1 Ho 0.37477 0.87477 0.50000 1.00000
  Ho2 Ho 0.62523 0.12523 0.50000 1.00000
  Ho3 Ho 0.00000 0.00000 0.00000 1.00000
  Ho4 Ho 0.74992 0.74992 0.00000 1.00000
  Ho5 Ho 0.25008 0.25008 0.00000 1.00000
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