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Dy6InRh2

Alexandria ALEX

Alex-ID: agm005705740 · Space group: Immm (#71)

Basic Information

Formula
Dy6InRh2
Alex-ID
agm005705740
Elements
3
Sites
18
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
469.59
ų
Cell a
8.4973
Å
Cell b
8.4973
Å
Cell c
8.4973
Å
α angle
104.58
°
β angle
110.96
°
γ angle
112.99
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy6InRh2
Dy
12.00 · 66.7%
In
2.00 · 11.1%
Rh
4.00 · 22.2%

Energy & Stability

Energy above hull
0.0178
eV/atom
Formation energy
-0.5769
eV/atom
Corrected total energy
-100.5746
eV
Raw total energy
-100.5746
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0007
eV
DOS at Fermi level
14.8306
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C6_1783_spg71

Decomposition

Dy5Rh3 Dy7Rh3 Dy4InRh

Computed at

2023-07-09 06:55:53.536816

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: agm005705740).

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 agm005705740
data_agm005705740
_cell_length_a     8.49732
_cell_length_b     8.49732
_cell_length_c     8.49732
_cell_angle_alpha  104.57763
_cell_angle_beta   110.96353
_cell_angle_gamma  112.98778
_cell_volume       469.59168
_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 0.52933 0.71131 0.81802 1.00000
  Dy2 Dy 0.47067 0.28869 0.18198 1.00000
  Dy3 Dy 0.10672 0.28869 0.81802 1.00000
  Dy4 Dy 0.89328 0.71131 0.18198 1.00000
  Dy5 Dy 0.79782 0.76247 0.56029 1.00000
  Dy6 Dy 0.20218 0.23753 0.43971 1.00000
  Dy7 Dy 0.20218 0.76247 0.96464 1.00000
  Dy8 Dy 0.79782 0.23753 0.03536 1.00000
  Dy9 Dy 0.69313 0.36469 0.67155 1.00000
  Dy10 Dy 0.30687 0.63531 0.32845 1.00000
  Dy11 Dy 0.30687 0.97842 0.67155 1.00000
  Dy12 Dy 0.69313 0.02158 0.32845 1.00000
  In1 In 0.00000 0.50000 0.50000 1.00000
  In2 In 0.00000 0.00000 0.00000 1.00000
  Rh1 Rh 0.50000 0.36733 0.86733 1.00000
  Rh2 Rh 0.50000 0.63267 0.13267 1.00000
  Rh3 Rh 0.66668 1.00000 0.66668 1.00000
  Rh4 Rh 0.33332 0.00000 0.33332 1.00000
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