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Dy2Ho6In

Alexandria ALEX

Alex-ID: agm005682713 · Space group: C2/c (#15)

Basic Information

Formula
Dy2Ho6In
Alex-ID
agm005682713
Elements
3
Sites
18
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
539.98
ų
Cell a
6.1599
Å
Cell b
11.6811
Å
Cell c
10.8627
Å
α angle
46.38
°
β angle
106.48
°
γ angle
105.29
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Ho6In
Dy
4.00 · 22.2%
Ho
12.00 · 66.7%
In
2.00 · 11.1%

Energy & Stability

Energy above hull
0.0237
eV/atom
Formation energy
-0.0938
eV/atom
Corrected total energy
-80.5841
eV
Raw total energy
-80.5841
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0003
eV
DOS at Fermi level
25.2682
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB2C6_1745_spg2

Decomposition

DyHo3In2 Dy2Ho7 Dy2In

Computed at

2023-07-08 08:18:23.099189

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: agm005682713).

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 agm005682713
data_agm005682713
_cell_length_a     6.15992
_cell_length_b     11.68113
_cell_length_c     10.86271
_cell_angle_alpha  46.37792
_cell_angle_beta   106.47634
_cell_angle_gamma  105.28624
_cell_volume       539.98054
_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 0.39182 0.80521 0.64065 1.00000
  Dy2 Dy 0.05391 0.30515 0.14071 1.00000
  Dy3 Dy 0.60818 0.19479 0.35935 1.00000
  Dy4 Dy 0.94609 0.69485 0.85929 1.00000
  Ho1 Ho 0.38293 0.63619 0.47066 1.00000
  Ho2 Ho 0.04194 0.47097 0.31288 1.00000
  Ho3 Ho 0.61707 0.36381 0.52934 1.00000
  Ho4 Ho 0.95806 0.52903 0.68712 1.00000
  Ho5 Ho 0.82678 0.91690 0.40805 1.00000
  Ho6 Ho 0.50169 0.58296 0.09206 1.00000
  Ho7 Ho 0.17322 0.08310 0.59195 1.00000
  Ho8 Ho 0.49831 0.41704 0.90794 1.00000
  Ho9 Ho 0.27619 0.86386 0.02924 1.00000
  Ho10 Ho 0.25795 0.02905 0.18710 1.00000
  Ho11 Ho 0.72381 0.13614 0.97076 1.00000
  Ho12 Ho 0.74205 0.97095 0.81290 1.00000
  In1 In 0.16553 0.25001 0.74996 1.00000
  In2 In 0.83447 0.74999 0.25004 1.00000
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