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TbZnRh4

Alexandria ALEX

Alex-ID: agm002246767 · Space group: F-43m (#216)

Basic Information

Formula
TbZnRh4
Alex-ID
agm002246767
Elements
3
Sites
6
Space group
F-43m (#216)
Crystal system
cubic
Volume
101.02
ų
Cell a
5.2278
Å
Cell b
5.2279
Å
Cell c
5.2277
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbZnRh4
Rh
4.00 · 66.7%
Zn
1.00 · 16.7%
Tb
1.00 · 16.7%

Energy & Stability

Energy above hull
0.1140
eV/atom
Formation energy
-0.3965
eV/atom
Corrected total energy
-37.6955
eV
Raw total energy
-37.6955
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.9321
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC4_12_spg216

Decomposition

TbRh3 ZnRh

Computed at

2018-06-29 15:28:24

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: agm002246767).

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 agm002246767
data_agm002246767
_cell_length_a     5.22776
_cell_length_b     5.22789
_cell_length_c     5.22772
_cell_angle_alpha  59.99715
_cell_angle_beta   59.99656
_cell_angle_gamma  59.99764
_cell_volume       101.02098
_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
  Rh1 Rh 0.12675 0.62442 0.62442 1.00000
  Rh2 Rh 0.62442 0.12676 0.62442 1.00000
  Rh3 Rh 0.62442 0.62441 0.62441 1.00000
  Rh4 Rh 0.62442 0.62442 0.12675 1.00000
  Zn1 Zn 0.24999 0.25000 0.24999 1.00000
  Tb1 Tb 0.00000 1.00000 1.00000 1.00000
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