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Dy6ZnCd3Rh2

Alexandria ALEX

Alex-ID: agm048336754 · Space group: C2/m (#12)

Basic Information

Formula
Dy6ZnCd3Rh2
Alex-ID
agm048336754
Elements
4
Sites
12
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
282.10
ų
Cell a
7.8937
Å
Cell b
7.8937
Å
Cell c
9.0581
Å
α angle
58.41
°
β angle
121.59
°
γ angle
143.17
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy6ZnCd3Rh2
Dy
6.00 · 50.0%
Zn
1.00 · 8.3%
Cd
3.00 · 25.0%
Rh
2.00 · 16.7%

Energy & Stability

Energy above hull
0.0129
eV/atom
Formation energy
-0.5263
eV/atom
Corrected total energy
-52.6894
eV
Raw total energy
-52.6894
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0097
eV
DOS at Fermi level
6.7338
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3D6_175_spg12

Decomposition

Dy2ZnCd Dy6Zn5Rh Dy9Cd5Rh4

Computed at

2025-01-01 12:41:18

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: agm048336754).

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 agm048336754
data_agm048336754
_cell_length_a     7.89368
_cell_length_b     7.89368
_cell_length_c     9.05808
_cell_angle_alpha  58.41310
_cell_angle_beta   121.58690
_cell_angle_gamma  143.17088
_cell_volume       282.09732
_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 0.42407 0.57593 0.27362 1.00000
  Dy2 Dy 0.24414 0.75586 0.72093 1.00000
  Dy3 Dy 0.57593 0.42407 0.72638 1.00000
  Dy4 Dy 0.09873 0.90127 0.28092 1.00000
  Dy5 Dy 0.75586 0.24414 0.27907 1.00000
  Dy6 Dy 0.90127 0.09873 0.71908 1.00000
  Zn1 Zn 0.00000 0.00000 0.50000 1.00000
  Cd1 Cd 0.16489 0.83511 0.99392 1.00000
  Cd2 Cd 0.83511 0.16489 0.00608 1.00000
  Cd3 Cd 0.50000 0.50000 0.00000 1.00000
  Rh1 Rh 0.33925 0.66075 0.49821 1.00000
  Rh2 Rh 0.66075 0.33925 0.50179 1.00000
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