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Ce4Dy3Te8

Alexandria ALEX

Alex-ID: agm005702809 · Space group: R-3m (#166)

Basic Information

Formula
Ce4Dy3Te8
Alex-ID
agm005702809
Elements
3
Sites
15
Space group
R-3m (#166)
Crystal system
trigonal
Volume
546.65
ų
Cell a
8.7602
Å
Cell b
8.7602
Å
Cell c
9.6559
Å
α angle
63.02
°
β angle
63.02
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ce4Dy3Te8
Ce
4.00 · 26.7%
Dy
3.00 · 20.0%
Te
8.00 · 53.3%

Energy & Stability

Energy above hull
0.2326
eV/atom
Formation energy
-1.1512
eV/atom
Corrected total energy
-79.9485
eV
Raw total energy
-79.9485
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0007
eV
DOS at Fermi level
33.1317
Total magnetisation
5.5682
μB

Additional Information

Prototype ID

A3B4C8_7_spg166

Decomposition

Dy3Te4 CeTe

Computed at

2023-06-29 19:32:46.989304

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: agm005702809).

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 agm005702809
data_agm005702809
_cell_length_a     8.76024
_cell_length_b     8.76024
_cell_length_c     9.65585
_cell_angle_alpha  63.02353
_cell_angle_beta   63.02353
_cell_angle_gamma  60.00000
_cell_volume       546.65332
_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
  Ce2 Ce 0.35680 0.35680 0.92961 1.00000
  Ce3 Ce 0.50000 0.50000 0.50000 1.00000
  Ce4 Ce 0.64320 0.64320 0.07039 1.00000
  Dy1 Dy 0.50000 0.00000 0.50000 1.00000
  Dy2 Dy 0.00000 0.00000 0.50000 1.00000
  Dy3 Dy 0.00000 0.50000 0.50000 1.00000
  Te1 Te 0.23275 0.23275 0.30175 1.00000
  Te2 Te 0.23115 0.75031 0.26822 1.00000
  Te3 Te 0.75031 0.75031 0.26823 1.00000
  Te4 Te 0.75031 0.23115 0.26822 1.00000
  Te5 Te 0.76725 0.76725 0.69825 1.00000
  Te6 Te 0.76885 0.24969 0.73178 1.00000
  Te7 Te 0.24969 0.24969 0.73177 1.00000
  Te8 Te 0.24969 0.76885 0.73178 1.00000
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