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Dy5(YIn2)2

Alexandria ALEX

Alex-ID: agm005677716 · Space group: P2/m (#10)

Basic Information

Formula
Dy5(YIn2)2
Alex-ID
agm005677716
Elements
3
Sites
11
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
308.87
ų
Cell a
3.4259
Å
Cell b
8.6087
Å
Cell c
10.5358
Å
α angle
83.73
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5(YIn2)2
Dy
5.00 · 45.5%
Y
2.00 · 18.2%
In
4.00 · 36.4%

Energy & Stability

Energy above hull
0.1439
eV/atom
Formation energy
-0.2371
eV/atom
Corrected total energy
-49.6313
eV
Raw total energy
-49.6313
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.7623
Total magnetisation
0.0032
μB

Additional Information

Prototype ID

A2B4C5_806_spg10

Decomposition

Dy5In3 Y2In

Computed at

2023-06-22 17:11:27.921261

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: agm005677716).

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 agm005677716
data_agm005677716
_cell_length_a     3.42593
_cell_length_b     8.60871
_cell_length_c     10.53577
_cell_angle_alpha  83.72623
_cell_angle_beta   90.00001
_cell_angle_gamma  90.00000
_cell_volume       308.86892
_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 0.46628 0.33275 1.00000
  Dy2 Dy 1.00000 0.83610 0.14411 1.00000
  Dy3 Dy 0.00000 0.50000 0.00000 1.00000
  Dy4 Dy 0.00000 0.16390 0.85589 1.00000
  Dy5 Dy 1.00000 0.53372 0.66725 1.00000
  Y1 Y 1.00000 0.91454 0.64058 1.00000
  Y2 Y 0.00000 0.08546 0.35942 1.00000
  In1 In 0.50000 0.24643 0.57585 1.00000
  In2 In 0.50000 0.80142 0.88462 1.00000
  In3 In 0.50000 0.75357 0.42415 1.00000
  In4 In 0.50000 0.19858 0.11538 1.00000
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