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Dy3Ho2In

Alexandria ALEX

Alex-ID: agm005665969 · Space group: Cmmm (#65)

Basic Information

Formula
Dy3Ho2In
Alex-ID
agm005665969
Elements
3
Sites
6
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
176.94
ų
Cell a
4.8475
Å
Cell b
4.8628
Å
Cell c
7.8903
Å
α angle
107.95
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3Ho2In
Dy
3.00 · 50.0%
Ho
2.00 · 33.3%
In
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0197
eV/atom
Formation energy
-0.1554
eV/atom
Corrected total energy
-26.6703
eV
Raw total energy
-26.6703
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0217
eV
DOS at Fermi level
6.7592
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_57_spg65

Decomposition

Dy5Ho Dy2Ho7 Dy2In

Computed at

2023-08-18 10:02:04.953145

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: agm005665969).

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 agm005665969
data_agm005665969
_cell_length_a     4.84752
_cell_length_b     4.86279
_cell_length_c     7.89029
_cell_angle_alpha  107.94779
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       176.94255
_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 0.16821 0.33643 1.00000
  Dy2 Dy 0.50000 0.50000 0.00000 1.00000
  Dy3 Dy 0.50000 0.83179 0.66357 1.00000
  Ho1 Ho 0.00000 0.66225 0.32450 1.00000
  Ho2 Ho 0.00000 0.33775 0.67550 1.00000
  In1 In 0.00000 0.00000 0.00000 1.00000
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