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Dy5Y2

Alexandria ALEX

Alex-ID: agm009709014 · Space group: C2/m (#12)

Basic Information

Formula
Dy5Y2
Alex-ID
agm009709014
Elements
2
Sites
7
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
221.74
ų
Cell a
6.1388
Å
Cell b
6.1388
Å
Cell c
10.6767
Å
α angle
84.36
°
β angle
95.64
°
γ angle
146.36
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5Y2
Dy
5.00 · 71.4%
Y
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0270
eV/atom
Formation energy
0.0246
eV/atom
Corrected total energy
-35.7728
eV
Raw total energy
-35.7728
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.9847
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B5_218_spg12

Decomposition

Dy5Y DyY5

Computed at

2025-04-19 10:07:00

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: agm009709014).

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 agm009709014
data_agm009709014
_cell_length_a     6.13875
_cell_length_b     6.13875
_cell_length_c     10.67668
_cell_angle_alpha  84.36130
_cell_angle_beta   95.63870
_cell_angle_gamma  146.35505
_cell_volume       221.73843
_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 0.00000 0.00000 0.50000 1.00000
  Dy2 Dy 0.14272 0.85728 0.06975 1.00000
  Dy3 Dy 0.85728 0.14272 0.93025 1.00000
  Dy4 Dy 0.42951 0.57049 0.21430 1.00000
  Dy5 Dy 0.57049 0.42951 0.78570 1.00000
  Y1 Y 0.71432 0.28568 0.35604 1.00000
  Y2 Y 0.28568 0.71432 0.64396 1.00000
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