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Ce4Dy

Alexandria ALEX

Alex-ID: agm012854801 · Space group: P-1 (#2)

Alexandria Database API

Basic Information

Formula
Ce4Dy
Alex-ID
agm012854801
Elements
2
Sites
20
Space group
P-1 (#2)
Crystal system
triclinic
Volume
563.41
ų
Cell a
8.5688
Å
Cell b
8.3281
Å
Cell c
9.6005
Å
α angle
64.39
°
β angle
66.37
°
γ angle
75.40
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce4Dy
Ce
16.00 · 80.0%
Dy
4.00 · 20.0%

Energy & Stability

Energy above hull
0.1073
eV/atom
Formation energy
0.1073
eV/atom
Corrected total energy
-111.2114
eV
Raw total energy
-111.2114
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0043
eV
DOS at Fermi level
61.6781
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4_2218_spg2

Decomposition

Dy Ce

Computed at

2024-07-18 23:22:11.158842

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: agm012854801).

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 agm012854801
data_agm012854801
_cell_length_a     8.56882
_cell_length_b     8.32814
_cell_length_c     9.60055
_cell_angle_alpha  64.38655
_cell_angle_beta   66.36952
_cell_angle_gamma  75.40434
_cell_volume       563.41410
_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 0.63962 0.85386 0.10827 1.00000
  Ce2 Ce 0.36038 0.14614 0.89173 1.00000
  Ce3 Ce 0.55809 0.43456 0.74070 1.00000
  Ce4 Ce 0.44191 0.56544 0.25930 1.00000
  Ce5 Ce 0.19607 0.83675 0.73524 1.00000
  Ce6 Ce 0.80393 0.16325 0.26476 1.00000
  Ce7 Ce 0.85059 0.57702 0.95970 1.00000
  Ce8 Ce 0.14941 0.42298 0.04030 1.00000
  Ce9 Ce 0.57456 0.83700 0.42121 1.00000
  Ce10 Ce 0.10581 0.33516 0.42084 1.00000
  Ce11 Ce 0.42544 0.16300 0.57879 1.00000
  Ce12 Ce 0.89419 0.66484 0.57916 1.00000
  Ce13 Ce 0.79120 0.44176 0.37575 1.00000
  Ce14 Ce 0.20880 0.55824 0.62425 1.00000
  Ce15 Ce 0.53205 0.27488 0.14951 1.00000
  Ce16 Ce 0.46795 0.72512 0.85049 1.00000
  Dy1 Dy 0.05014 0.78281 0.15392 1.00000
  Dy2 Dy 0.94986 0.21719 0.84608 1.00000
  Dy3 Dy 0.21026 0.98075 0.32557 1.00000
  Dy4 Dy 0.78974 0.01925 0.67443 1.00000
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