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Tb8PrRh4

Alexandria ALEX

Alex-ID: agm097342153 · Space group: Pm (#6)

Basic Information

Formula
Tb8PrRh4
Alex-ID
agm097342153
Elements
3
Sites
13
Space group
Pm (#6)
Crystal system
monoclinic
Volume
351.68
ų
Cell a
3.8033
Å
Cell b
9.7416
Å
Cell c
9.9386
Å
α angle
72.76
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb8PrRh4
Tb
8.00 · 61.5%
Pr
1.00 · 7.7%
Rh
4.00 · 30.8%

Energy & Stability

Energy above hull
0.0886
eV/atom
Formation energy
-0.5228
eV/atom
Corrected total energy
-78.0445
eV
Raw total energy
-78.0445
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.2868
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB4C8_1607_spg8

Decomposition

Tb5Rh3 Tb7Rh3 Pr

Computed at

2025-06-18 07:38:21

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: agm097342153).

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 agm097342153
data_agm097342153
_cell_length_a     3.80334
_cell_length_b     9.74157
_cell_length_c     9.93856
_cell_angle_alpha  72.76028
_cell_angle_beta   89.99727
_cell_angle_gamma  89.99777
_cell_volume       351.68491
_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 0.73071 0.18754 0.30374 1.00000
  Tb2 Tb 0.73077 0.62383 0.01378 1.00000
  Tb3 Tb 0.23072 0.58665 0.68869 1.00000
  Tb4 Tb 0.23076 0.21662 0.63547 1.00000
  Tb5 Tb 0.73065 0.79773 0.38338 1.00000
  Tb6 Tb 0.23080 0.50994 0.33152 1.00000
  Tb7 Tb 0.73080 0.31174 0.92871 1.00000
  Tb8 Tb 0.73055 0.89280 0.68976 1.00000
  Pr1 Pr 0.23075 0.96144 0.06151 1.00000
  Rh1 Rh 0.73090 0.07650 0.84246 1.00000
  Rh2 Rh 0.23097 0.39500 0.10444 1.00000
  Rh3 Rh 0.73096 0.46597 0.54796 1.00000
  Rh4 Rh 0.23067 0.97425 0.46859 1.00000
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