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Dy5Y

Alexandria ALEX

Alex-ID: agm024425086 · Space group: C2/m (#12)

Basic Information

Formula
Dy5Y
Alex-ID
agm024425086
Elements
2
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
378.61
ų
Cell a
17.2736
Å
Cell b
17.2736
Å
Cell c
6.1610
Å
α angle
86.57
°
β angle
93.43
°
γ angle
168.09
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5Y
Dy
10.00 · 83.3%
Y
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0159
eV/atom
Formation energy
0.0140
eV/atom
Corrected total energy
-58.7952
eV
Raw total energy
-58.7952
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0071
eV
DOS at Fermi level
16.3655
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB5_1705_spg12

Decomposition

Dy5Y

Computed at

2025-03-01 00:53:36

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: agm024425086).

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 agm024425086
data_agm024425086
_cell_length_a     17.27360
_cell_length_b     17.27360
_cell_length_c     6.16098
_cell_angle_alpha  86.57005
_cell_angle_beta   93.42995
_cell_angle_gamma  168.09256
_cell_volume       378.61136
_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 0.25034 0.74966 0.24869 1.00000
  Dy2 Dy 0.74966 0.25034 0.75131 1.00000
  Dy3 Dy 0.58383 0.41617 0.69500 1.00000
  Dy4 Dy 0.00000 0.00000 0.50000 1.00000
  Dy5 Dy 0.41617 0.58383 0.30500 1.00000
  Dy6 Dy 0.91644 0.08356 0.80612 1.00000
  Dy7 Dy 0.08356 0.91644 0.19388 1.00000
  Dy8 Dy 0.50000 0.50000 0.00000 1.00000
  Dy9 Dy 0.16661 0.83339 0.88854 1.00000
  Dy10 Dy 0.83339 0.16661 0.11146 1.00000
  Y1 Y 0.66678 0.33322 0.38760 1.00000
  Y2 Y 0.33322 0.66678 0.61240 1.00000
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