Navigation

HEAS Data Platform · Materials Science Database

Dy6AlCd5

Alexandria ALEX

Alex-ID: agm063619062 · Space group: Immm (#71)

Basic Information

Formula
Dy6AlCd5
Alex-ID
agm063619062
Elements
3
Sites
12
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
309.29
ų
Cell a
9.1126
Å
Cell b
9.1126
Å
Cell c
9.1126
Å
α angle
146.39
°
β angle
131.82
°
γ angle
60.02
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy6AlCd5
Dy
6.00 · 50.0%
Al
1.00 · 8.3%
Cd
5.00 · 41.7%

Energy & Stability

Energy above hull
0.0009
eV/atom
Formation energy
-0.3282
eV/atom
Corrected total energy
-39.9239
eV
Raw total energy
-39.9239
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.8530
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

AB5C6_53_spg71

Decomposition

DyAl DyCd

Computed at

2025-01-03 22:57:43

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: agm063619062).

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 agm063619062
data_agm063619062
_cell_length_a     9.11263
_cell_length_b     9.11263
_cell_length_c     9.11263
_cell_angle_alpha  146.39046
_cell_angle_beta   131.82159
_cell_angle_gamma  60.02365
_cell_volume       309.28857
_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 0.41787 0.66352 0.75434 1.00000
  Dy2 Dy 0.90918 0.66352 0.24566 1.00000
  Dy3 Dy 0.25825 0.00000 0.25825 1.00000
  Dy4 Dy 0.74175 0.00000 0.74175 1.00000
  Dy5 Dy 0.09082 0.33648 0.75434 1.00000
  Dy6 Dy 0.58213 0.33648 0.24566 1.00000
  Al1 Al 0.50000 0.50000 0.00000 1.00000
  Cd1 Cd 0.32945 0.82945 0.50000 1.00000
  Cd2 Cd 0.16627 0.16627 0.00000 1.00000
  Cd3 Cd 0.00000 0.50000 0.50000 1.00000
  Cd4 Cd 0.83373 0.83373 0.00000 1.00000
  Cd5 Cd 0.67055 0.17055 0.50000 1.00000
Get direct link