Navigation

HEAS Data Platform · Materials Science Database

Dy2Cd6In

Alexandria ALEX

Alex-ID: agm005773063 · Space group: R-3m (#166)

Basic Information

Formula
Dy2Cd6In
Alex-ID
agm005773063
Elements
3
Sites
9
Space group
R-3m (#166)
Crystal system
trigonal
Volume
218.68
ų
Cell a
6.0368
Å
Cell b
6.0338
Å
Cell c
6.0338
Å
α angle
93.27
°
β angle
93.24
°
γ angle
93.24
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy2Cd6In
Dy
2.00 · 22.2%
Cd
6.00 · 66.7%
In
1.00 · 11.1%

Energy & Stability

Energy above hull
0.0601
eV/atom
Formation energy
-0.2122
eV/atom
Corrected total energy
-19.4283
eV
Raw total energy
-19.4283
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.8691
Total magnetisation
-0.0001
μB

Additional Information

Prototype ID

AB2C6_648_spg12

Decomposition

DyCdIn2 Dy11Cd45 DyCd3

Computed at

2023-07-06 15:52:56.836771

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: agm005773063).

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 agm005773063
data_agm005773063
_cell_length_a     6.03679
_cell_length_b     6.03379
_cell_length_c     6.03379
_cell_angle_alpha  93.27383
_cell_angle_beta   93.24041
_cell_angle_gamma  93.24039
_cell_volume       218.67606
_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 0.67232 0.67206 0.67205 1.00000
  Dy2 Dy 0.32768 0.32794 0.32795 1.00000
  Cd1 Cd 0.16778 0.50014 0.83244 1.00000
  Cd2 Cd 0.83222 0.16756 0.49986 1.00000
  Cd3 Cd 0.83222 0.49986 0.16756 1.00000
  Cd4 Cd 0.50000 0.16767 0.83233 1.00000
  Cd5 Cd 0.16778 0.83244 0.50014 1.00000
  Cd6 Cd 0.50000 0.83233 0.16767 1.00000
  In1 In 0.00000 0.00000 0.00000 1.00000
Get direct link