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Dy4YIn5

Alexandria ALEX

Alex-ID: agm003640539 · Space group: P4/mmm (#123)

Alexandria Database API

Basic Information

Formula
Dy4YIn5
Alex-ID
agm003640539
Elements
3
Sites
10
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
266.14
ų
Cell a
3.7454
Å
Cell b
3.7454
Å
Cell c
18.9725
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4YIn5
Dy
4.00 · 40.0%
Y
1.00 · 10.0%
In
5.00 · 50.0%

Energy & Stability

Energy above hull
0.0020
eV/atom
Formation energy
-0.4556
eV/atom
Corrected total energy
-43.2824
eV
Raw total energy
-43.2824
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.2695
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C5_22_spg123

Decomposition

Dy5YIn6 DyYIn2

Computed at

2022-04-08 08:07:25.060875

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: agm003640539).

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 agm003640539
data_agm003640539
_cell_length_a     3.74537
_cell_length_b     3.74537
_cell_length_c     18.97251
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       266.14199
_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 0.20050 1.00000
  Dy2 Dy 0.00000 0.00000 0.40027 1.00000
  Dy3 Dy 0.00000 0.00000 0.59973 1.00000
  Dy4 Dy 0.00000 0.00000 0.79950 1.00000
  Y1 Y 0.00000 0.00000 0.00000 1.00000
  In1 In 0.50000 0.50000 0.10057 1.00000
  In2 In 0.50000 0.50000 0.30044 1.00000
  In3 In 0.50000 0.50000 0.50000 1.00000
  In4 In 0.50000 0.50000 0.69956 1.00000
  In5 In 0.50000 0.50000 0.89943 1.00000
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