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TbCe4Dy3Te8

Alexandria ALEX

Alex-ID: agm004734603 · Space group: R-3m (#166)

Basic Information

Formula
TbCe4Dy3Te8
Alex-ID
agm004734603
Elements
4
Sites
16
Space group
R-3m (#166)
Crystal system
trigonal
Volume
490.02
ų
Cell a
8.7755
Å
Cell b
8.9250
Å
Cell c
8.7755
Å
α angle
119.45
°
β angle
120.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbCe4Dy3Te8
Tb
1.00 · 6.3%
Ce
4.00 · 25.0%
Dy
3.00 · 18.8%
Te
8.00 · 50.0%

Energy & Stability

Energy above hull
0.0030
eV/atom
Formation energy
-1.3393
eV/atom
Corrected total energy
-88.7412
eV
Raw total energy
-88.7412
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
29.8581
Total magnetisation
5.0031
μB

Additional Information

Prototype ID

AB3C4D8_20_spg12

Decomposition

TbCe4Te5 DyTe

Computed at

2023-02-05 19:55:28.029771

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: agm004734603).

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 agm004734603
data_agm004734603
_cell_length_a     8.77552
_cell_length_b     8.92499
_cell_length_c     8.77554
_cell_angle_alpha  119.44794
_cell_angle_beta   119.99991
_cell_angle_gamma  90.00000
_cell_volume       490.02056
_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
  Tb1 Tb 0.00000 0.50000 0.00000 1.00000
  Ce1 Ce 0.50000 0.00000 0.00000 1.00000
  Ce2 Ce 0.50000 0.00000 0.50000 1.00000
  Ce3 Ce 0.00000 0.00000 0.00000 1.00000
  Ce4 Ce 0.00000 0.00000 0.50000 1.00000
  Dy1 Dy 0.50000 0.50000 0.00000 1.00000
  Dy2 Dy 0.50000 0.50000 0.50000 1.00000
  Dy3 Dy 0.00000 0.50000 0.50000 1.00000
  Te1 Te 0.24676 0.73907 0.99230 1.00000
  Te2 Te 0.24676 0.73907 0.49353 1.00000
  Te3 Te 0.25385 0.26154 0.50769 1.00000
  Te4 Te 0.74554 0.73907 0.99230 1.00000
  Te5 Te 0.25446 0.26093 0.00770 1.00000
  Te6 Te 0.74615 0.73846 0.49231 1.00000
  Te7 Te 0.75324 0.26093 0.50647 1.00000
  Te8 Te 0.75324 0.26093 0.00770 1.00000
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