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Dy4Ho9Cd11

Alexandria ALEX

Alex-ID: agm005727445 · Space group: Cmmm (#65)

Alexandria Database API

Basic Information

Formula
Dy4Ho9Cd11
Alex-ID
agm005727445
Elements
3
Sites
24
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
633.27
ų
Cell a
13.8424
Å
Cell b
13.8424
Å
Cell c
3.5073
Å
α angle
90.00
°
β angle
90.00
°
γ angle
109.56
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Dy4Ho9Cd11
Dy
4.00 · 16.7%
Ho
9.00 · 37.5%
Cd
11.00 · 45.8%

Energy & Stability

Energy above hull
0.0664
eV/atom
Formation energy
-0.2257
eV/atom
Corrected total energy
-75.1978
eV
Raw total energy
-75.1978
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0020
eV
DOS at Fermi level
26.7583
Total magnetisation
1.2059
μB

Additional Information

Prototype ID

A4B9C11_8_spg65

Decomposition

Ho3Cd2 DyHoCd2 Ho2Cd

Computed at

2023-07-13 15:12:19.649938

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: agm005727445).

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 agm005727445
data_agm005727445
_cell_length_a     13.84236
_cell_length_b     13.84236
_cell_length_c     3.50730
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  109.55523
_cell_volume       633.27318
_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 0.74998 0.58248 0.50000 1.00000
  Dy2 Dy 0.25002 0.41752 0.50000 1.00000
  Dy3 Dy 0.58248 0.74998 0.50000 1.00000
  Dy4 Dy 0.41752 0.25002 0.50000 1.00000
  Ho1 Ho 0.15481 0.61791 0.50000 1.00000
  Ho2 Ho 0.84519 0.38209 0.50000 1.00000
  Ho3 Ho 0.61791 0.15481 0.50000 1.00000
  Ho4 Ho 0.38209 0.84519 0.50000 1.00000
  Ho5 Ho 0.98135 0.79405 0.50000 1.00000
  Ho6 Ho 0.01865 0.20595 0.50000 1.00000
  Ho7 Ho 0.79405 0.98135 0.50000 1.00000
  Ho8 Ho 0.20595 0.01865 0.50000 1.00000
  Ho9 Ho 0.50000 0.50000 0.50000 1.00000
  Cd1 Cd 0.95045 0.58816 0.00000 1.00000
  Cd2 Cd 0.04955 0.41184 0.00000 1.00000
  Cd3 Cd 0.58816 0.95045 0.00000 1.00000
  Cd4 Cd 0.41184 0.04955 0.00000 1.00000
  Cd5 Cd 0.37057 0.62943 0.00000 1.00000
  Cd6 Cd 0.62943 0.37057 0.00000 1.00000
  Cd7 Cd 0.18062 0.81938 0.00000 1.00000
  Cd8 Cd 0.81938 0.18062 0.00000 1.00000
  Cd9 Cd 0.00000 0.00000 0.00000 1.00000
  Cd10 Cd 0.78729 0.78729 0.00000 1.00000
  Cd11 Cd 0.21271 0.21271 0.00000 1.00000
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