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TbCd2SnRh4

Alexandria ALEX

Alex-ID: agm037367707 · Space group: R-3m (#166)

Alexandria Database API

Basic Information

Formula
TbCd2SnRh4
Alex-ID
agm037367707
Elements
4
Sites
8
Space group
R-3m (#166)
Crystal system
trigonal
Volume
140.65
ų
Cell a
8.0074
Å
Cell b
8.0074
Å
Cell c
8.0074
Å
α angle
33.68
°
β angle
33.68
°
γ angle
33.68
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
TbCd2SnRh4
Tb
1.00 · 12.5%
Cd
2.00 · 25.0%
Sn
1.00 · 12.5%
Rh
4.00 · 50.0%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.4957
eV/atom
Corrected total energy
-43.8535
eV
Raw total energy
-43.8535
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.1531
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2D4_208_spg139

Decomposition

TbCd2SnRh4

Computed at

2025-01-01 04:11:36

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: agm037367707).

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 agm037367707
data_agm037367707
_cell_length_a     8.00736
_cell_length_b     8.00736
_cell_length_c     8.00736
_cell_angle_alpha  33.67766
_cell_angle_beta   33.67766
_cell_angle_gamma  33.67766
_cell_volume       140.64743
_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
  Cd1 Cd 0.25317 0.25317 0.25317 1.00000
  Cd2 Cd 0.74683 0.74683 0.74683 1.00000
  Sn1 Sn 0.50000 0.50000 0.50000 1.00000
  Rh1 Rh 0.61861 0.61861 0.61861 1.00000
  Rh2 Rh 0.12933 0.12933 0.12933 1.00000
  Rh3 Rh 0.87067 0.87067 0.87067 1.00000
  Rh4 Rh 0.38139 0.38139 0.38139 1.00000
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