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Ce(DyHo2)3

Alexandria ALEX

Alex-ID: agm006013402 · Space group: C2/m (#12)

Basic Information

Formula
Ce(DyHo2)3
Alex-ID
agm006013402
Elements
3
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
333.40
ų
Cell a
6.4477
Å
Cell b
7.7858
Å
Cell c
8.2542
Å
α angle
94.15
°
β angle
67.01
°
γ angle
65.54
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce(DyHo2)3
Ce
1.00 · 10.0%
Dy
3.00 · 30.0%
Ho
6.00 · 60.0%

Energy & Stability

Energy above hull
0.3563
eV/atom
Formation energy
0.3532
eV/atom
Corrected total energy
-43.6840
eV
Raw total energy
-43.6840
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0004
eV
DOS at Fermi level
19.8958
Total magnetisation
1.9164
μB

Additional Information

Prototype ID

AB3C6_427_spg12

Decomposition

Dy5Ho Dy2Ho7 Ce

Computed at

2023-09-13 20:52:32

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: agm006013402).

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 agm006013402
data_agm006013402
_cell_length_a     6.44771
_cell_length_b     7.78578
_cell_length_c     8.25423
_cell_angle_alpha  94.14745
_cell_angle_beta   67.00986
_cell_angle_gamma  65.53914
_cell_volume       333.39715
_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 0.50000 0.50000 1.00000
  Dy1 Dy 0.22452 0.28194 0.26901 1.00000
  Dy2 Dy 0.77548 0.71806 0.73099 1.00000
  Dy3 Dy 0.00000 0.00000 0.00000 1.00000
  Ho1 Ho 0.68422 0.81950 0.32497 1.00000
  Ho2 Ho 0.82869 0.18050 0.67503 1.00000
  Ho3 Ho 0.31578 0.18050 0.67503 1.00000
  Ho4 Ho 0.17131 0.81950 0.32497 1.00000
  Ho5 Ho 0.74335 0.46504 0.04825 1.00000
  Ho6 Ho 0.25665 0.53496 0.95175 1.00000
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