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Tb(Ge2Rh3)2

Alexandria ALEX

Alex-ID: agm003661285 · Space group: I-42m (#121)

Basic Information

Formula
Tb(Ge2Rh3)2
Alex-ID
agm003661285
Elements
3
Sites
11
Space group
I-42m (#121)
Crystal system
tetragonal
Volume
179.16
ų
Cell a
7.5722
Å
Cell b
7.5722
Å
Cell c
7.5722
Å
α angle
58.14
°
β angle
139.81
°
γ angle
139.81
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb(Ge2Rh3)2
Tb
1.00 · 9.1%
Ge
4.00 · 36.4%
Rh
6.00 · 54.5%

Energy & Stability

Energy above hull
0.3072
eV/atom
Formation energy
-0.4446
eV/atom
Corrected total energy
-72.1012
eV
Raw total energy
-72.1012
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.5525
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C6_73_spg8

Decomposition

Tb(Ge2Rh3)2

Computed at

2022-04-08 11:43:31.029019

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: agm003661285).

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 agm003661285
data_agm003661285
_cell_length_a     7.57223
_cell_length_b     7.57223
_cell_length_c     7.57223
_cell_angle_alpha  58.13579
_cell_angle_beta   139.81402
_cell_angle_gamma  139.81402
_cell_volume       179.15648
_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
  Ge1 Ge 0.00000 0.17021 0.55632 1.00000
  Ge2 Ge 0.61389 0.44368 0.44368 1.00000
  Ge3 Ge 0.00000 0.55632 0.17021 1.00000
  Ge4 Ge 0.38611 0.82979 0.82979 1.00000
  Rh1 Rh 1.00000 0.95638 0.40369 1.00000
  Rh2 Rh 1.00000 0.40369 0.95638 1.00000
  Rh3 Rh 0.44731 0.04362 0.04362 1.00000
  Rh4 Rh 0.50000 0.00000 0.50000 1.00000
  Rh5 Rh 0.55269 0.59631 0.59631 1.00000
  Rh6 Rh 0.50000 0.50000 0.00000 1.00000
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