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Dy8Ho5Cd

Alexandria ALEX

Alex-ID: agm006101774 · Space group: I-4 (#82)

Basic Information

Formula
Dy8Ho5Cd
Alex-ID
agm006101774
Elements
3
Sites
14
Space group
I-4 (#82)
Crystal system
tetragonal
Volume
449.27
ų
Cell a
8.3593
Å
Cell b
8.3593
Å
Cell c
8.3593
Å
α angle
110.46
°
β angle
107.50
°
γ angle
110.46
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy8Ho5Cd
Dy
8.00 · 57.1%
Ho
5.00 · 35.7%
Cd
1.00 · 7.1%

Energy & Stability

Energy above hull
0.2577
eV/atom
Formation energy
0.2084
eV/atom
Corrected total energy
-57.7289
eV
Raw total energy
-57.7289
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
18.7117
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

AB5C8_68_spg82

Decomposition

DyHoCd Dy5Ho Dy2Ho7

Computed at

2023-08-11 02:14:41.171862

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: agm006101774).

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 agm006101774
data_agm006101774
_cell_length_a     8.35933
_cell_length_b     8.35934
_cell_length_c     8.35933
_cell_angle_alpha  110.46500
_cell_angle_beta   107.50146
_cell_angle_gamma  110.46500
_cell_volume       449.27241
_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 0.16526 0.72513 0.06782 1.00000
  Dy2 Dy 0.93218 0.09744 0.65731 1.00000
  Dy3 Dy 0.73661 0.25996 0.34198 1.00000
  Dy4 Dy 0.65802 0.39463 0.91798 1.00000
  Dy5 Dy 0.52335 0.60537 0.26339 1.00000
  Dy6 Dy 0.55987 0.90256 0.83474 1.00000
  Dy7 Dy 0.34269 0.27487 0.44013 1.00000
  Dy8 Dy 0.08202 0.74004 0.47665 1.00000
  Ho1 Ho 0.02099 0.30771 0.12506 1.00000
  Ho2 Ho 0.87494 0.89593 0.18265 1.00000
  Ho3 Ho 0.81735 0.69229 0.71328 1.00000
  Ho4 Ho 0.50000 0.00000 0.50000 1.00000
  Ho5 Ho 0.28672 0.10407 0.97901 1.00000
  Cd1 Cd 0.25000 0.50000 0.75000 1.00000
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