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Tb2Ce(HoCd)2

Alexandria ALEX

Alex-ID: agm024730027 · Space group: R-3m (#166)

Basic Information

Formula
Tb2Ce(HoCd)2
Alex-ID
agm024730027
Elements
4
Sites
7
Space group
R-3m (#166)
Crystal system
trigonal
Volume
202.86
ų
Cell a
8.5296
Å
Cell b
8.5296
Å
Cell c
8.5296
Å
α angle
37.15
°
β angle
37.15
°
γ angle
37.15
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2Ce(HoCd)2
Tb
2.00 · 28.6%
Ce
1.00 · 14.3%
Ho
2.00 · 28.6%
Cd
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0812
eV/atom
Formation energy
-0.1070
eV/atom
Corrected total energy
-26.9519
eV
Raw total energy
-26.9519
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.1037
Total magnetisation
0.7280
μB

Additional Information

Prototype ID

AB2C2D2_16_spg166

Decomposition

TbHoCd Ce

Computed at

2025-06-08 07:04:01

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: agm024730027).

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 agm024730027
data_agm024730027
_cell_length_a     8.52958
_cell_length_b     8.52958
_cell_length_c     8.52958
_cell_angle_alpha  37.15215
_cell_angle_beta   37.15215
_cell_angle_gamma  37.15215
_cell_volume       202.85941
_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 0.42670 0.42670 0.42670 1.00000
  Tb2 Tb 0.57330 0.57330 0.57330 1.00000
  Ce1 Ce 0.00000 0.00000 0.00000 1.00000
  Ho1 Ho 0.84323 0.84323 0.84323 1.00000
  Ho2 Ho 0.15677 0.15677 0.15677 1.00000
  Cd1 Cd 0.28770 0.28770 0.28770 1.00000
  Cd2 Cd 0.71230 0.71230 0.71230 1.00000
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