Navigation

HEAS Data Platform · Materials Science Database

Dy5HoSb6

Alexandria ALEX

Alex-ID: agm029074366 · Space group: C2/m (#12)

Basic Information

Formula
Dy5HoSb6
Alex-ID
agm029074366
Elements
3
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
356.44
ų
Cell a
9.7889
Å
Cell b
9.7889
Å
Cell c
8.7618
Å
α angle
77.07
°
β angle
102.93
°
γ angle
154.14
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5HoSb6
Dy
5.00 · 41.7%
Ho
1.00 · 8.3%
Sb
6.00 · 50.0%

Energy & Stability

Energy above hull
0.0027
eV/atom
Formation energy
-1.1294
eV/atom
Corrected total energy
-65.8845
eV
Raw total energy
-65.8845
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0001
eV
DOS at Fermi level
1.5631
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB5C6_53_spg71

Decomposition

Dy3HoSb4 DySb

Computed at

2025-01-19 05:08:46

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: agm029074366).

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 agm029074366
data_agm029074366
_cell_length_a     9.78886
_cell_length_b     9.78886
_cell_length_c     8.76182
_cell_angle_alpha  77.06895
_cell_angle_beta   102.93105
_cell_angle_gamma  154.13852
_cell_volume       356.43591
_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 0.50000 0.50000 0.50000 1.00000
  Dy2 Dy 0.16676 0.83324 0.83322 1.00000
  Dy3 Dy 0.83324 0.16676 0.16678 1.00000
  Dy4 Dy 0.16661 0.83339 0.33309 1.00000
  Dy5 Dy 0.83339 0.16661 0.66691 1.00000
  Ho1 Ho 0.50000 0.50000 0.00000 1.00000
  Sb1 Sb 0.66637 0.33363 0.08300 1.00000
  Sb2 Sb 0.33332 0.66668 0.41682 1.00000
  Sb3 Sb 0.33363 0.66637 0.91700 1.00000
  Sb4 Sb 0.00005 0.99995 0.75081 1.00000
  Sb5 Sb 0.99995 0.00005 0.24919 1.00000
  Sb6 Sb 0.66668 0.33332 0.58318 1.00000
Get direct link