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Dy3InRh

Alexandria ALEX

Alex-ID: agm005802776 · Space group: C2/m (#12)

Basic Information

Formula
Dy3InRh
Alex-ID
agm005802776
Elements
3
Sites
10
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
271.68
ų
Cell a
5.4678
Å
Cell b
6.5372
Å
Cell c
9.1421
Å
α angle
68.27
°
β angle
72.60
°
γ angle
65.28
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy3InRh
Dy
6.00 · 60.0%
In
2.00 · 20.0%
Rh
2.00 · 20.0%

Energy & Stability

Energy above hull
0.1179
eV/atom
Formation energy
-0.4978
eV/atom
Corrected total energy
-52.8429
eV
Raw total energy
-52.8429
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0230
eV
DOS at Fermi level
8.0976
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC3_5018_spg12

Decomposition

Dy11In9Rh4 Dy5Rh3 Dy4InRh

Computed at

2023-07-05 14:13:32.671885

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: agm005802776).

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 agm005802776
data_agm005802776
_cell_length_a     5.46780
_cell_length_b     6.53722
_cell_length_c     9.14211
_cell_angle_alpha  68.27444
_cell_angle_beta   72.59724
_cell_angle_gamma  65.27610
_cell_volume       271.67908
_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 0.88784 0.99570 0.22861 1.00000
  Dy2 Dy 0.11216 0.00430 0.77139 1.00000
  Dy3 Dy 0.61168 0.67901 0.09765 1.00000
  Dy4 Dy 0.38832 0.32099 0.90235 1.00000
  Dy5 Dy 0.84352 0.65839 0.65458 1.00000
  Dy6 Dy 0.15648 0.34161 0.34542 1.00000
  In1 In 0.39081 0.76356 0.45483 1.00000
  In2 In 0.60919 0.23644 0.54517 1.00000
  Rh1 Rh 0.13843 0.66685 0.05632 1.00000
  Rh2 Rh 0.86157 0.33315 0.94368 1.00000
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