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Tb2DyRh9

Alexandria ALEX

Alex-ID: agm003540409 · Space group: R-3m (#166)

Basic Information

Formula
Tb2DyRh9
Alex-ID
agm003540409
Elements
3
Sites
12
Space group
R-3m (#166)
Crystal system
trigonal
Volume
210.61
ų
Cell a
5.2592
Å
Cell b
5.2592
Å
Cell c
9.3020
Å
α angle
73.58
°
β angle
73.58
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2DyRh9
Tb
2.00 · 16.7%
Dy
1.00 · 8.3%
Rh
9.00 · 75.0%

Energy & Stability

Energy above hull
0.0127
eV/atom
Formation energy
-0.5642
eV/atom
Corrected total energy
-86.8013
eV
Raw total energy
-86.8013
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.5303
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C9_0_spg166

Decomposition

DyRh3 TbRh3

Computed at

2022-03-19 03:34:37.609848

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: agm003540409).

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 agm003540409
data_agm003540409
_cell_length_a     5.25920
_cell_length_b     5.25920
_cell_length_c     9.30198
_cell_angle_alpha  73.57905
_cell_angle_beta   73.57905
_cell_angle_gamma  60.00000
_cell_volume       210.61025
_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 0.86117 0.86117 0.41649 1.00000
  Tb2 Tb 0.13883 0.13883 0.58351 1.00000
  Dy1 Dy 0.00000 0.00000 0.00000 1.00000
  Rh1 Rh 0.66700 0.66700 0.99901 1.00000
  Rh2 Rh 0.33300 0.33300 0.00099 1.00000
  Rh3 Rh 0.50000 0.50000 0.50000 1.00000
  Rh4 Rh 0.41748 0.41748 0.24728 1.00000
  Rh5 Rh 0.91775 0.41748 0.24728 1.00000
  Rh6 Rh 0.41748 0.91775 0.24728 1.00000
  Rh7 Rh 0.58252 0.58252 0.75272 1.00000
  Rh8 Rh 0.58252 0.08225 0.75272 1.00000
  Rh9 Rh 0.08225 0.58252 0.75272 1.00000
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