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TbCe2(ZnCu)2

Alexandria ALEX

Alex-ID: agm025317605 · Space group: R-3m (#166)

Basic Information

Formula
TbCe2(ZnCu)2
Alex-ID
agm025317605
Elements
4
Sites
7
Space group
R-3m (#166)
Crystal system
trigonal
Volume
141.33
ų
Cell a
9.1379
Å
Cell b
9.1379
Å
Cell c
9.1379
Å
α angle
27.27
°
β angle
27.27
°
γ angle
27.27
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbCe2(ZnCu)2
Tb
1.00 · 14.3%
Ce
2.00 · 28.6%
Zn
2.00 · 28.6%
Cu
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0173
eV/atom
Formation energy
-0.2091
eV/atom
Corrected total energy
-28.8404
eV
Raw total energy
-28.8404
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.4151
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D2_72_spg166

Decomposition

TbCu2 CeZn

Computed at

2025-06-11 17:22:09

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: agm025317605).

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 agm025317605
data_agm025317605
_cell_length_a     9.13786
_cell_length_b     9.13786
_cell_length_c     9.13786
_cell_angle_alpha  27.26966
_cell_angle_beta   27.26966
_cell_angle_gamma  27.26966
_cell_volume       141.33456
_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 0.00000 0.00000 1.00000
  Ce1 Ce 0.86088 0.86088 0.86088 1.00000
  Ce2 Ce 0.13912 0.13912 0.13912 1.00000
  Zn1 Zn 0.26263 0.26263 0.26263 1.00000
  Zn2 Zn 0.73737 0.73737 0.73737 1.00000
  Cu1 Cu 0.40369 0.40369 0.40369 1.00000
  Cu2 Cu 0.59631 0.59631 0.59631 1.00000
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