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Dy7Ho5

Alexandria ALEX

Alex-ID: agm060725948 · Space group: P2/m (#10)

Basic Information

Formula
Dy7Ho5
Alex-ID
agm060725948
Elements
2
Sites
12
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
373.15
ų
Cell a
6.1502
Å
Cell b
7.1183
Å
Cell c
8.7667
Å
α angle
90.00
°
β angle
103.53
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy7Ho5
Dy
7.00 · 58.3%
Ho
5.00 · 41.7%

Energy & Stability

Energy above hull
0.0046
eV/atom
Formation energy
0.0013
eV/atom
Corrected total energy
-55.1035
eV
Raw total energy
-55.1035
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0125
eV
DOS at Fermi level
16.2425
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

A5B7_680_spg12

Decomposition

Dy5Ho Dy2Ho7

Computed at

2024-12-31 02:38:45

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: agm060725948).

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 agm060725948
data_agm060725948
_cell_length_a     6.15016
_cell_length_b     7.11828
_cell_length_c     8.76674
_cell_angle_alpha  90.00000
_cell_angle_beta   103.52835
_cell_angle_gamma  90.00000
_cell_volume       373.14631
_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 0.24999 0.50000 1.00000
  Dy2 Dy 0.00000 0.75001 0.50000 1.00000
  Dy3 Dy 0.72203 0.00000 0.16582 1.00000
  Dy4 Dy 0.27797 0.00000 0.83418 1.00000
  Dy5 Dy 0.27765 0.50000 0.83426 1.00000
  Dy6 Dy 0.50000 0.50000 0.50000 1.00000
  Dy7 Dy 0.72235 0.50000 0.16574 1.00000
  Ho1 Ho 0.77795 0.24985 0.83362 1.00000
  Ho2 Ho 0.22205 0.75015 0.16638 1.00000
  Ho3 Ho 0.22205 0.24985 0.16638 1.00000
  Ho4 Ho 0.77795 0.75015 0.83362 1.00000
  Ho5 Ho 0.50000 0.00000 0.50000 1.00000
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