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Dy5Y4

Alexandria ALEX

Alex-ID: agm005536719 · Space group: Immm (#71)

Basic Information

Formula
Dy5Y4
Alex-ID
agm005536719
Elements
2
Sites
9
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
286.77
ų
Cell a
3.6211
Å
Cell b
9.0927
Å
Cell c
9.0927
Å
α angle
91.65
°
β angle
78.51
°
γ angle
78.51
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5Y4
Dy
5.00 · 55.6%
Y
4.00 · 44.4%

Energy & Stability

Energy above hull
0.0438
eV/atom
Formation energy
0.0407
eV/atom
Corrected total energy
-48.5045
eV
Raw total energy
-48.5045
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
13.3086
Total magnetisation
0.0008
μB

Additional Information

Prototype ID

A4B5_125_spg71

Decomposition

Dy5Y DyY5

Computed at

2023-05-28 08:19:10.523361

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: agm005536719).

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 agm005536719
data_agm005536719
_cell_length_a     3.62106
_cell_length_b     9.09267
_cell_length_c     9.09267
_cell_angle_alpha  91.65331
_cell_angle_beta   78.51049
_cell_angle_gamma  78.51049
_cell_volume       286.76622
_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
  Dy1 Dy 1.00000 0.04136 0.95864 1.00000
  Dy2 Dy 0.00000 0.29197 0.70803 1.00000
  Dy3 Dy 0.00000 0.66667 0.33333 1.00000
  Dy4 Dy 0.29327 0.37307 0.03974 1.00000
  Dy5 Dy 0.70673 0.96026 0.62693 1.00000
  Y1 Y 0.35634 0.62091 0.66699 1.00000
  Y2 Y 0.35634 0.00032 0.28757 1.00000
  Y3 Y 0.64366 0.71243 0.99968 1.00000
  Y4 Y 0.64366 0.33301 0.37909 1.00000
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