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Dy13Y2

Alexandria ALEX

Alex-ID: agm003285451 · Space group: P-1 (#2)

Basic Information

Formula
Dy13Y2
Alex-ID
agm003285451
Elements
2
Sites
15
Space group
P-1 (#2)
Crystal system
triclinic
Volume
473.21
ų
Cell a
6.5946
Å
Cell b
8.9348
Å
Cell c
8.9340
Å
α angle
114.07
°
β angle
81.53
°
γ angle
98.44
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy13Y2
Dy
13.00 · 86.7%
Y
2.00 · 13.3%

Energy & Stability

Energy above hull
0.0724
eV/atom
Formation energy
0.0709
eV/atom
Corrected total energy
-71.7120
eV
Raw total energy
-71.7119
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
26.0493
Total magnetisation
0.0010
μB

Additional Information

Prototype ID

A2B13_9_spg2

Decomposition

Dy5Y Dy

Computed at

2022-01-15 23:20:41.189225

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: agm003285451).

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 agm003285451
data_agm003285451
_cell_length_a     6.59461
_cell_length_b     8.93477
_cell_length_c     8.93405
_cell_angle_alpha  114.06812
_cell_angle_beta   81.53455
_cell_angle_gamma  98.43824
_cell_volume       473.20831
_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 0.70853 0.62674 0.02143 1.00000
  Dy2 Dy 0.29147 0.37326 0.97857 1.00000
  Dy3 Dy 0.00000 0.00000 0.00000 1.00000
  Dy4 Dy 0.31304 0.04641 0.64196 1.00000
  Dy5 Dy 0.68696 0.95359 0.35804 1.00000
  Dy6 Dy 0.10441 0.55378 0.75279 1.00000
  Dy7 Dy 0.89559 0.44622 0.24721 1.00000
  Dy8 Dy 0.39835 0.59987 0.40096 1.00000
  Dy9 Dy 0.60165 0.40013 0.59904 1.00000
  Dy10 Dy 0.48747 0.83094 0.83658 1.00000
  Dy11 Dy 0.51253 0.16906 0.16342 1.00000
  Dy12 Dy 0.80299 0.20224 0.80091 1.00000
  Dy13 Dy 0.19701 0.79776 0.19909 1.00000
  Y1 Y 0.90490 0.78227 0.57909 1.00000
  Y2 Y 0.09510 0.21773 0.42091 1.00000
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