Navigation

HEAS Data Platform · Materials Science Database

Ce(Dy5Ho3)2

Alexandria ALEX

Alex-ID: agm006100396 · Space group: P-31m (#162)

Basic Information

Formula
Ce(Dy5Ho3)2
Alex-ID
agm006100396
Elements
3
Sites
17
Space group
P-31m (#162)
Crystal system
trigonal
Volume
541.86
ų
Cell a
6.7815
Å
Cell b
9.6054
Å
Cell c
9.6054
Å
α angle
120.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce(Dy5Ho3)2
Ce
1.00 · 5.9%
Dy
10.00 · 58.8%
Ho
6.00 · 35.3%

Energy & Stability

Energy above hull
0.1539
eV/atom
Formation energy
0.1508
eV/atom
Corrected total energy
-76.8787
eV
Raw total energy
-76.8787
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0001
eV
DOS at Fermi level
26.2995
Total magnetisation
1.0604
μB

Additional Information

Prototype ID

AB6C10_23_spg162

Decomposition

Dy5Ho Dy2Ho7 Ce

Computed at

2023-08-07 12:10:31.374641

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: agm006100396).

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 agm006100396
data_agm006100396
_cell_length_a     6.78154
_cell_length_b     9.60540
_cell_length_c     9.60540
_cell_angle_alpha  120.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       541.86366
_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
  Ce1 Ce 0.50000 0.00000 0.00000 1.00000
  Dy1 Dy 0.81573 0.72661 0.72661 1.00000
  Dy2 Dy 0.81573 0.00000 0.27339 1.00000
  Dy3 Dy 0.81573 0.27339 0.00000 1.00000
  Dy4 Dy 0.18427 0.27339 0.27339 1.00000
  Dy5 Dy 0.18427 0.00000 0.72661 1.00000
  Dy6 Dy 0.18427 0.72661 1.00000 1.00000
  Dy7 Dy 0.50000 0.33333 0.66667 1.00000
  Dy8 Dy 0.50000 0.66667 0.33333 1.00000
  Dy9 Dy 0.00000 0.66667 0.33333 1.00000
  Dy10 Dy 0.00000 0.33333 0.66667 1.00000
  Ho1 Ho 0.69806 0.37707 0.37707 1.00000
  Ho2 Ho 0.69806 0.00000 0.62293 1.00000
  Ho3 Ho 0.69806 0.62293 1.00000 1.00000
  Ho4 Ho 0.30194 0.62293 0.62293 1.00000
  Ho5 Ho 0.30194 0.00000 0.37707 1.00000
  Ho6 Ho 0.30194 0.37707 0.00000 1.00000
Get direct link