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Ce(DyHo4)2

Alexandria ALEX

Alex-ID: agm003518052 · Space group: C2/m (#12)

Basic Information

Formula
Ce(DyHo4)2
Alex-ID
agm003518052
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
360.20
ų
Cell a
5.5222
Å
Cell b
10.1033
Å
Cell c
10.1033
Å
α angle
39.78
°
β angle
92.68
°
γ angle
92.68
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce(DyHo4)2
Ce
1.00 · 9.1%
Dy
2.00 · 18.2%
Ho
8.00 · 72.7%

Energy & Stability

Energy above hull
0.1791
eV/atom
Formation energy
0.1761
eV/atom
Corrected total energy
-49.8321
eV
Raw total energy
-49.8321
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0012
eV
DOS at Fermi level
21.7760
Total magnetisation
1.0868
μB

Additional Information

Prototype ID

AB2C8_336_spg12

Decomposition

DyHo8 Dy2Ho7 Ce

Computed at

2022-03-13 22:52:14.672837

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: agm003518052).

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 agm003518052
data_agm003518052
_cell_length_a     5.52222
_cell_length_b     10.10327
_cell_length_c     10.10327
_cell_angle_alpha  39.77663
_cell_angle_beta   92.68345
_cell_angle_gamma  92.68345
_cell_volume       360.19693
_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 0.00000 0.00000 0.00000 1.00000
  Dy1 Dy 0.75042 0.28379 0.28379 1.00000
  Dy2 Dy 0.24958 0.71621 0.71621 1.00000
  Ho1 Ho 0.26667 0.13308 0.60221 1.00000
  Ho2 Ho 0.26667 0.60221 0.13308 1.00000
  Ho3 Ho 0.73333 0.86692 0.39779 1.00000
  Ho4 Ho 0.23784 0.54658 0.54658 1.00000
  Ho5 Ho 0.73333 0.39779 0.86692 1.00000
  Ho6 Ho 0.23372 0.18699 0.18699 1.00000
  Ho7 Ho 0.76628 0.81301 0.81301 1.00000
  Ho8 Ho 0.76216 0.45342 0.45342 1.00000
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