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Dy3(Ho2In)2

Alexandria ALEX

Alex-ID: agm003333303 · Space group: C2/m (#12)

Basic Information

Formula
Dy3(Ho2In)2
Alex-ID
agm003333303
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
265.15
ų
Cell a
5.2756
Å
Cell b
6.7617
Å
Cell c
9.4091
Å
α angle
59.61
°
β angle
73.75
°
γ angle
67.05
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3(Ho2In)2
Dy
3.00 · 33.3%
Ho
4.00 · 44.4%
In
2.00 · 22.2%

Energy & Stability

Energy above hull
0.0422
eV/atom
Formation energy
-0.1895
eV/atom
Corrected total energy
-39.3705
eV
Raw total energy
-39.3705
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.5466
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C4_293_spg12

Decomposition

DyHo3In2 Dy2Ho7 Dy2In

Computed at

2022-01-29 15:17:59.645789

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: agm003333303).

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 agm003333303
data_agm003333303
_cell_length_a     5.27556
_cell_length_b     6.76169
_cell_length_c     9.40914
_cell_angle_alpha  59.60843
_cell_angle_beta   73.74792
_cell_angle_gamma  67.04717
_cell_volume       265.15199
_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 0.57535 0.19496 0.65442 1.00000
  Dy2 Dy 0.00000 0.00000 0.00000 1.00000
  Dy3 Dy 0.42465 0.80504 0.34558 1.00000
  Ho1 Ho 0.33073 0.37275 0.96542 1.00000
  Ho2 Ho 0.87813 0.58589 0.65757 1.00000
  Ho3 Ho 0.12187 0.41411 0.34243 1.00000
  Ho4 Ho 0.66927 0.62725 0.03458 1.00000
  In1 In 0.78730 0.10743 0.31772 1.00000
  In2 In 0.21270 0.89257 0.68228 1.00000
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