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Dy10Ho3

Alexandria ALEX

Alex-ID: agm010228632 · Space group: P-1 (#2)

Basic Information

Formula
Dy10Ho3
Alex-ID
agm010228632
Elements
2
Sites
13
Space group
P-1 (#2)
Crystal system
triclinic
Volume
403.95
ų
Cell a
6.1056
Å
Cell b
7.8852
Å
Cell c
9.3438
Å
α angle
65.12
°
β angle
83.83
°
γ angle
82.57
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy10Ho3
Dy
10.00 · 76.9%
Ho
3.00 · 23.1%

Energy & Stability

Energy above hull
0.0230
eV/atom
Formation energy
0.0198
eV/atom
Corrected total energy
-59.5151
eV
Raw total energy
-59.5151
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
17.4514
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A3B10_113_spg2

Decomposition

Dy5Ho Dy2Ho7

Computed at

2024-05-09 14:32:51.436064

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: agm010228632).

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 agm010228632
data_agm010228632
_cell_length_a     6.10561
_cell_length_b     7.88520
_cell_length_c     9.34380
_cell_angle_alpha  65.11532
_cell_angle_beta   83.82758
_cell_angle_gamma  82.56945
_cell_volume       403.94924
_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 0.11543 0.26917 0.53855 1.00000
  Dy2 Dy 0.88457 0.73083 0.46145 1.00000
  Dy3 Dy 0.19275 0.11537 0.23047 1.00000
  Dy4 Dy 0.80725 0.88463 0.76953 1.00000
  Dy5 Dy 0.65415 0.19233 0.38437 1.00000
  Dy6 Dy 0.34585 0.80767 0.61563 1.00000
  Dy7 Dy 0.57661 0.34602 0.69257 1.00000
  Dy8 Dy 0.03813 0.42289 0.84645 1.00000
  Dy9 Dy 0.96187 0.57711 0.15355 1.00000
  Dy10 Dy 0.42339 0.65398 0.30743 1.00000
  Ho1 Ho 0.50000 0.50000 0.00000 1.00000
  Ho2 Ho 0.26904 0.96145 0.92332 1.00000
  Ho3 Ho 0.73096 0.03855 0.07668 1.00000
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