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CeDy7Sb8

Alexandria ALEX

Alex-ID: agm045207294 · Space group: Fm-3m (#225)

Basic Information

Formula
CeDy7Sb8
Alex-ID
agm045207294
Elements
3
Sites
16
Space group
Fm-3m (#225)
Crystal system
cubic
Volume
481.88
ų
Cell a
8.8000
Å
Cell b
8.8000
Å
Cell c
8.8000
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
CeDy7Sb8
Ce
1.00 · 6.3%
Dy
7.00 · 43.8%
Sb
8.00 · 50.0%

Energy & Stability

Energy above hull
0.0013
eV/atom
Formation energy
-1.1204
eV/atom
Corrected total energy
-89.0661
eV
Raw total energy
-89.0661
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.5633
Total magnetisation
0.6284
μB

Additional Information

Prototype ID

AB7C8_4_spg225

Decomposition

CeDy5Sb6 DySb

Computed at

2024-12-23 12:34:11

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: agm045207294).

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 agm045207294
data_agm045207294
_cell_length_a     8.80005
_cell_length_b     8.80005
_cell_length_c     8.80005
_cell_angle_alpha  60.00000
_cell_angle_beta   60.00000
_cell_angle_gamma  60.00000
_cell_volume       481.88124
_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
  Ce1 Ce 0.00000 0.00000 0.00000 1.00000
  Dy1 Dy 0.50000 0.50000 0.50000 1.00000
  Dy2 Dy 0.50000 0.00000 0.00000 1.00000
  Dy3 Dy 0.50000 0.50000 0.00000 1.00000
  Dy4 Dy 0.50000 0.00000 0.50000 1.00000
  Dy5 Dy 0.00000 0.00000 0.50000 1.00000
  Dy6 Dy 0.00000 0.50000 0.00000 1.00000
  Dy7 Dy 0.00000 0.50000 0.50000 1.00000
  Sb1 Sb 0.25175 0.74825 0.25175 1.00000
  Sb2 Sb 0.25175 0.25175 0.74825 1.00000
  Sb3 Sb 0.75000 0.75000 0.75000 1.00000
  Sb4 Sb 0.25175 0.74825 0.74825 1.00000
  Sb5 Sb 0.74825 0.25175 0.25175 1.00000
  Sb6 Sb 0.25000 0.25000 0.25000 1.00000
  Sb7 Sb 0.74825 0.74825 0.25175 1.00000
  Sb8 Sb 0.74825 0.25175 0.74825 1.00000
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