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Dy4ZnCd2In

Alexandria ALEX

Alex-ID: agm026134292 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
Dy4ZnCd2In
Alex-ID
agm026134292
Elements
4
Sites
8
Space group
R-3m (#166)
Crystal system
trigonal
Volume
203.73
ų
Cell a
9.0860
Å
Cell b
9.0860
Å
Cell c
9.0860
Å
α angle
33.52
°
β angle
33.52
°
γ angle
33.52
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4ZnCd2In
Dy
4.00 · 50.0%
Zn
1.00 · 12.5%
Cd
2.00 · 25.0%
In
1.00 · 12.5%

Energy & Stability

Energy above hull
0.0135
eV/atom
Formation energy
-0.3496
eV/atom
Corrected total energy
-27.1067
eV
Raw total energy
-27.1067
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
9.6306
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

ABC2D4_936_spg5

Decomposition

Dy5Zn4In Dy4Cd3In Dy2ZnIn

Computed at

2025-03-01 00:53:46

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: agm026134292).

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 agm026134292
data_agm026134292
_cell_length_a     9.08599
_cell_length_b     9.08599
_cell_length_c     9.08599
_cell_angle_alpha  33.51927
_cell_angle_beta   33.51927
_cell_angle_gamma  33.51927
_cell_volume       203.72908
_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 0.62083 0.62083 0.62083 1.00000
  Dy2 Dy 0.12891 0.12891 0.12891 1.00000
  Dy3 Dy 0.87109 0.87109 0.87109 1.00000
  Dy4 Dy 0.37917 0.37917 0.37917 1.00000
  Zn1 Zn 0.50000 0.50000 0.50000 1.00000
  Cd1 Cd 0.25106 0.25106 0.25106 1.00000
  Cd2 Cd 0.74894 0.74894 0.74894 1.00000
  In1 In 0.00000 0.00000 0.00000 1.00000
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