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Tb2HoSi2Rh5

Alexandria ALEX

Alex-ID: agm005133771 · Space group: P4/mbm (#127)

Alexandria Database API

Basic Information

Formula
Tb2HoSi2Rh5
Alex-ID
agm005133771
Elements
4
Sites
20
Space group
P4/mbm (#127)
Crystal system
tetragonal
Volume
353.22
ų
Cell a
3.5370
Å
Cell b
9.9932
Å
Cell c
9.9932
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2HoSi2Rh5
Tb
4.00 · 20.0%
Ho
2.00 · 10.0%
Si
4.00 · 20.0%
Rh
10.00 · 50.0%

Energy & Stability

Energy above hull
0.0016
eV/atom
Formation energy
-0.9993
eV/atom
Corrected total energy
-142.8793
eV
Raw total energy
-142.8793
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.8691
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2D5_50_spg127

Decomposition

TbSiRh2 Ho3Si2Rh5 TbHo2Rh3

Computed at

2022-07-15 05:02:01.544985

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: agm005133771).

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 agm005133771
data_agm005133771
_cell_length_a     3.53705
_cell_length_b     9.99319
_cell_length_c     9.99319
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       353.22328
_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 0.67390 0.17390 1.00000
  Tb2 Tb 0.00000 0.32610 0.82610 1.00000
  Tb3 Tb 0.00000 0.17390 0.32610 1.00000
  Tb4 Tb 0.00000 0.82610 0.67390 1.00000
  Ho1 Ho 0.00000 0.00000 0.00000 1.00000
  Ho2 Ho 0.00000 0.50000 0.50000 1.00000
  Si1 Si 0.00000 0.12276 0.62276 1.00000
  Si2 Si 0.00000 0.87724 0.37724 1.00000
  Si3 Si 0.00000 0.62276 0.87724 1.00000
  Si4 Si 0.00000 0.37724 0.12276 1.00000
  Rh1 Rh 0.50000 0.22188 0.07006 1.00000
  Rh2 Rh 0.50000 0.77812 0.92994 1.00000
  Rh3 Rh 0.50000 0.07006 0.77812 1.00000
  Rh4 Rh 0.50000 0.72188 0.42994 1.00000
  Rh5 Rh 0.50000 0.92994 0.22188 1.00000
  Rh6 Rh 0.50000 0.27812 0.57006 1.00000
  Rh7 Rh 0.50000 0.57006 0.72188 1.00000
  Rh8 Rh 0.50000 0.42994 0.27812 1.00000
  Rh9 Rh 0.50000 0.50000 0.00000 1.00000
  Rh10 Rh 0.50000 0.00000 0.50000 1.00000
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