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Dy5(HoIn)2

Alexandria ALEX

Alex-ID: agm009296111 · Space group: C2/m (#12)

Alexandria Database API

Basic Information

Formula
Dy5(HoIn)2
Alex-ID
agm009296111
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
267.49
ų
Cell a
6.6236
Å
Cell b
6.6236
Å
Cell c
11.9282
Å
α angle
72.71
°
β angle
72.71
°
γ angle
32.52
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy5(HoIn)2
Dy
5.00 · 55.6%
Ho
2.00 · 22.2%
In
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0369
eV/atom
Formation energy
-0.1954
eV/atom
Corrected total energy
-39.4735
eV
Raw total energy
-39.4735
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.3831
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C5_16_spg12

Decomposition

Dy5Ho Dy2Ho7 Dy2In

Computed at

2024-05-09 22:54:09.776158

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: agm009296111).

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 agm009296111
data_agm009296111
_cell_length_a     6.62361
_cell_length_b     6.62361
_cell_length_c     11.92825
_cell_angle_alpha  72.70980
_cell_angle_beta   72.70980
_cell_angle_gamma  32.51699
_cell_volume       267.48865
_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 0.31613 0.31613 0.37586 1.00000
  Dy2 Dy 0.68387 0.68387 0.62414 1.00000
  Dy3 Dy 0.68965 0.68965 0.91511 1.00000
  Dy4 Dy 0.31035 0.31035 0.08489 1.00000
  Dy5 Dy 0.00000 0.00000 0.50000 1.00000
  Ho1 Ho 0.98473 0.98473 0.84347 1.00000
  Ho2 Ho 0.01527 0.01527 0.15653 1.00000
  In1 In 0.35820 0.35820 0.70654 1.00000
  In2 In 0.64180 0.64180 0.29346 1.00000
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