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Dy4Cd2IrRh

Alexandria ALEX

Alex-ID: agm033148540 · Space group: P4/mmm (#123)

Alexandria Database API

Basic Information

Formula
Dy4Cd2IrRh
Alex-ID
agm033148540
Elements
4
Sites
8
Space group
P4/mmm (#123)
Crystal system
tetragonal
Volume
185.21
ų
Cell a
4.9471
Å
Cell b
4.9471
Å
Cell c
7.5676
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4Cd2IrRh
Dy
4.00 · 50.0%
Cd
2.00 · 25.0%
Ir
1.00 · 12.5%
Rh
1.00 · 12.5%

Energy & Stability

Energy above hull
0.0143
eV/atom
Formation energy
-0.6182
eV/atom
Corrected total energy
-41.4203
eV
Raw total energy
-41.4203
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.0494
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D4_926_spg8

Decomposition

Dy4Ir2Rh Dy9Cd5Rh4 DyCd2 Dy5Ir3

Computed at

2025-03-12 23:27:24

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: agm033148540).

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 agm033148540
data_agm033148540
_cell_length_a     4.94710
_cell_length_b     4.94710
_cell_length_c     7.56756
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       185.20676
_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 0.50000 0.00000 0.21871 1.00000
  Dy2 Dy 0.50000 0.00000 0.78129 1.00000
  Dy3 Dy 0.00000 0.50000 0.78129 1.00000
  Dy4 Dy 0.00000 0.50000 0.21871 1.00000
  Cd1 Cd 0.50000 0.50000 0.50000 1.00000
  Cd2 Cd 0.00000 0.00000 0.50000 1.00000
  Ir1 Ir 0.00000 0.00000 0.00000 1.00000
  Rh1 Rh 0.50000 0.50000 0.00000 1.00000
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