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Tb3Co7Rh2

Alexandria ALEX

Alex-ID: agm024569934 · Space group: R-3m (#166)

Basic Information

Formula
Tb3Co7Rh2
Alex-ID
agm024569934
Elements
3
Sites
12
Space group
R-3m (#166)
Crystal system
trigonal
Volume
184.11
ų
Cell a
8.8852
Å
Cell b
8.8852
Å
Cell c
8.8852
Å
α angle
32.90
°
β angle
32.90
°
γ angle
32.90
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb3Co7Rh2
Tb
3.00 · 25.0%
Co
7.00 · 58.3%
Rh
2.00 · 16.7%

Energy & Stability

Energy above hull
0.1254
eV/atom
Formation energy
-0.2145
eV/atom
Corrected total energy
-81.0397
eV
Raw total energy
-81.0397
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
17.0175
Total magnetisation
10.0798
μB

Additional Information

Prototype ID

A2B3C7_3_spg166

Decomposition

Tb2Co17 TbCo3 TbRh

Computed at

2025-05-15 23:12:04

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: agm024569934).

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 agm024569934
data_agm024569934
_cell_length_a     8.88518
_cell_length_b     8.88518
_cell_length_c     8.88518
_cell_angle_alpha  32.89706
_cell_angle_beta   32.89706
_cell_angle_gamma  32.89706
_cell_volume       184.11271
_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
  Tb2 Tb 0.13971 0.13971 0.13971 1.00000
  Tb3 Tb 0.86029 0.86029 0.86029 1.00000
  Co1 Co 0.50000 0.50000 0.50000 1.00000
  Co2 Co 0.08248 0.58601 0.58601 1.00000
  Co3 Co 0.58601 0.58601 0.08248 1.00000
  Co4 Co 0.58601 0.08248 0.58601 1.00000
  Co5 Co 0.91752 0.41399 0.41399 1.00000
  Co6 Co 0.41399 0.91752 0.41399 1.00000
  Co7 Co 0.41399 0.41399 0.91752 1.00000
  Rh1 Rh 0.33427 0.33427 0.33427 1.00000
  Rh2 Rh 0.66573 0.66573 0.66573 1.00000
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