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CeDy2Er5

Alexandria ALEX

Alex-ID: agm003468005 · Space group: Pbam (#55)

Alexandria Database API

Basic Information

Formula
CeDy2Er5
Alex-ID
agm003468005
Elements
3
Sites
16
Space group
Pbam (#55)
Crystal system
orthorhombic
Volume
492.47
ų
Cell a
4.9734
Å
Cell b
7.0343
Å
Cell c
14.0769
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeDy2Er5
Ce
2.00 · 12.5%
Dy
4.00 · 25.0%
Er
10.00 · 62.5%

Energy & Stability

Energy above hull
0.0451
eV/atom
Formation energy
0.0413
eV/atom
Corrected total energy
-75.2503
eV
Raw total energy
-75.2503
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
23.4725
Total magnetisation
2.0327
μB

Additional Information

Prototype ID

AB2C5_20_spg55

Decomposition

Dy5Er4 DyEr5 Ce

Computed at

2022-02-20 12:19:43.438213

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: agm003468005).

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 agm003468005
data_agm003468005
_cell_length_a     4.97341
_cell_length_b     7.03426
_cell_length_c     14.07689
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       492.47000
_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
  Ce2 Ce 0.00000 0.50000 0.00000 1.00000
  Dy1 Dy 0.50000 0.24694 0.62410 1.00000
  Dy2 Dy 0.50000 0.75306 0.37590 1.00000
  Dy3 Dy 0.50000 0.25306 0.12410 1.00000
  Dy4 Dy 0.50000 0.74694 0.87590 1.00000
  Er1 Er 0.00000 0.00000 0.00000 1.00000
  Er2 Er 0.00000 0.50000 0.50000 1.00000
  Er3 Er 0.00000 0.50082 0.74988 1.00000
  Er4 Er 0.00000 0.49918 0.25012 1.00000
  Er5 Er 0.00000 0.99918 0.24988 1.00000
  Er6 Er 0.00000 0.00082 0.75012 1.00000
  Er7 Er 0.50000 0.25437 0.87603 1.00000
  Er8 Er 0.50000 0.74563 0.12397 1.00000
  Er9 Er 0.50000 0.24563 0.37603 1.00000
  Er10 Er 0.50000 0.75437 0.62397 1.00000
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