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CeDy6Y

Alexandria ALEX

Alex-ID: agm005759342 · Space group: C2/m (#12)

Basic Information

Formula
CeDy6Y
Alex-ID
agm005759342
Elements
3
Sites
8
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
255.29
ų
Cell a
6.7505
Å
Cell b
6.7505
Å
Cell c
6.4839
Å
α angle
89.42
°
β angle
89.42
°
γ angle
120.21
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeDy6Y
Ce
1.00 · 12.5%
Dy
6.00 · 75.0%
Y
1.00 · 12.5%

Energy & Stability

Energy above hull
0.2364
eV/atom
Formation energy
0.2350
eV/atom
Corrected total energy
-38.1396
eV
Raw total energy
-38.1396
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0017
eV
DOS at Fermi level
19.1530
Total magnetisation
1.5975
μB

Additional Information

Prototype ID

ABC6_257_spg12

Decomposition

Dy5Y Ce Dy

Computed at

2023-07-30 16:53:14.897734

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: agm005759342).

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 agm005759342
data_agm005759342
_cell_length_a     6.75053
_cell_length_b     6.75053
_cell_length_c     6.48391
_cell_angle_alpha  89.41885
_cell_angle_beta   89.41885
_cell_angle_gamma  120.21034
_cell_volume       255.28744
_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 0.50000 1.00000
  Dy1 Dy 0.08442 0.57470 0.74539 1.00000
  Dy2 Dy 0.57470 0.08442 0.74539 1.00000
  Dy3 Dy 0.42530 0.91558 0.25461 1.00000
  Dy4 Dy 0.91558 0.42530 0.25461 1.00000
  Dy5 Dy 0.54750 0.54750 0.74885 1.00000
  Dy6 Dy 0.45250 0.45250 0.25115 1.00000
  Y1 Y 0.00000 0.00000 0.00000 1.00000
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