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Dy2YHoIn4

Alexandria ALEX

Alex-ID: agm044990716 · Space group: P4/mmm (#123)

Basic Information

Formula
Dy2YHoIn4
Alex-ID
agm044990716
Elements
4
Sites
16
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
424.87
ų
Cell a
7.5172
Å
Cell b
7.5172
Å
Cell c
7.5187
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2YHoIn4
Dy
4.00 · 25.0%
Y
2.00 · 12.5%
Ho
2.00 · 12.5%
In
8.00 · 50.0%

Energy & Stability

Energy above hull
0.0013
eV/atom
Formation energy
-0.4557
eV/atom
Corrected total energy
-69.9460
eV
Raw total energy
-69.9460
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0002
eV
DOS at Fermi level
9.5590
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D4_471_spg47

Decomposition

DyHoIn2 DyYIn2

Computed at

2024-10-16 02:35:46.196551

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: agm044990716).

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 agm044990716
data_agm044990716
_cell_length_a     7.51716
_cell_length_b     7.51716
_cell_length_c     7.51870
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       424.86509
_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 0.50000 0.00000 0.00000 1.00000
  Dy2 Dy 0.00000 0.50000 0.00000 1.00000
  Dy3 Dy 0.00000 0.00000 0.00000 1.00000
  Dy4 Dy 0.00000 0.00000 0.50000 1.00000
  Y1 Y 0.00000 0.50000 0.50000 1.00000
  Y2 Y 0.50000 0.00000 0.50000 1.00000
  Ho1 Ho 0.50000 0.50000 0.50000 1.00000
  Ho2 Ho 0.50000 0.50000 0.00000 1.00000
  In1 In 0.25078 0.25078 0.75017 1.00000
  In2 In 0.25078 0.25078 0.24983 1.00000
  In3 In 0.74922 0.74922 0.75017 1.00000
  In4 In 0.74922 0.74922 0.24983 1.00000
  In5 In 0.25078 0.74922 0.75017 1.00000
  In6 In 0.74922 0.25078 0.75017 1.00000
  In7 In 0.25078 0.74922 0.24983 1.00000
  In8 In 0.74922 0.25078 0.24983 1.00000
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