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Dy5Ho

Alexandria ALEX

Alex-ID: agm035976975 · Space group: C2/m (#12)

Basic Information

Formula
Dy5Ho
Alex-ID
agm035976975
Elements
2
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
373.62
ų
Cell a
7.8964
Å
Cell b
7.8964
Å
Cell c
9.9854
Å
α angle
89.99
°
β angle
90.01
°
γ angle
143.12
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5Ho
Dy
10.00 · 83.3%
Ho
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0225
eV/atom
Formation energy
0.0193
eV/atom
Corrected total energy
-54.9627
eV
Raw total energy
-54.9627
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0001
eV
DOS at Fermi level
15.5070
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB5_1344_spg12

Decomposition

Dy5Ho

Computed at

2025-04-15 05:26:34

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: agm035976975).

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 agm035976975
data_agm035976975
_cell_length_a     7.89639
_cell_length_b     7.89639
_cell_length_c     9.98541
_cell_angle_alpha  89.99482
_cell_angle_beta   90.00518
_cell_angle_gamma  143.12410
_cell_volume       373.62365
_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 0.91665 0.08335 0.87491 1.00000
  Dy2 Dy 0.08335 0.91665 0.12509 1.00000
  Dy3 Dy 0.58335 0.41665 0.87481 1.00000
  Dy4 Dy 0.41665 0.58335 0.12519 1.00000
  Dy5 Dy 0.08322 0.91678 0.62495 1.00000
  Dy6 Dy 0.91678 0.08322 0.37505 1.00000
  Dy7 Dy 0.75009 0.24991 0.62472 1.00000
  Dy8 Dy 0.24991 0.75009 0.37528 1.00000
  Dy9 Dy 0.75000 0.25000 0.12528 1.00000
  Dy10 Dy 0.25000 0.75000 0.87472 1.00000
  Ho1 Ho 0.41670 0.58330 0.62485 1.00000
  Ho2 Ho 0.58330 0.41670 0.37515 1.00000
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