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Tb2Co2Si5Rh

Alexandria ALEX

Alex-ID: agm040071985 · Space group: C2/c (#15)

Alexandria Database API

Basic Information

Formula
Tb2Co2Si5Rh
Alex-ID
agm040071985
Elements
4
Sites
20
Space group
C2/c (#15)
Crystal system
monoclinic
Volume
308.14
ų
Cell a
7.9353
Å
Cell b
7.9353
Å
Cell c
5.6048
Å
α angle
70.40
°
β angle
70.40
°
γ angle
92.66
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb2Co2Si5Rh
Tb
4.00 · 20.0%
Co
4.00 · 20.0%
Si
10.00 · 50.0%
Rh
2.00 · 10.0%

Energy & Stability

Energy above hull
0.0000
eV/atom
Formation energy
-0.8440
eV/atom
Corrected total energy
-132.8371
eV
Raw total energy
-132.8370
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0176
eV
DOS at Fermi level
9.6442
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

AB2C2D5_56_spg15

Decomposition

Tb2Co2Si5Rh

Computed at

2024-09-25 04:10:59.908063

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: agm040071985).

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 agm040071985
data_agm040071985
_cell_length_a     7.93526
_cell_length_b     7.93526
_cell_length_c     5.60476
_cell_angle_alpha  70.39814
_cell_angle_beta   70.39814
_cell_angle_gamma  92.65898
_cell_volume       308.13704
_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 0.13280 0.40107 0.73409 1.00000
  Tb2 Tb 0.59893 0.86720 0.76591 1.00000
  Tb3 Tb 0.86720 0.59893 0.26591 1.00000
  Tb4 Tb 0.40107 0.13280 0.23409 1.00000
  Co1 Co 0.73671 0.46187 0.87789 1.00000
  Co2 Co 0.53813 0.26329 0.62211 1.00000
  Co3 Co 0.26329 0.53813 0.12211 1.00000
  Co4 Co 0.46187 0.73671 0.37789 1.00000
  Si1 Si 0.93754 0.72524 0.67019 1.00000
  Si2 Si 0.27476 0.06246 0.82981 1.00000
  Si3 Si 0.06246 0.27476 0.32981 1.00000
  Si4 Si 0.72524 0.93754 0.17019 1.00000
  Si5 Si 0.48951 0.51049 0.75000 1.00000
  Si6 Si 0.51049 0.48951 0.25000 1.00000
  Si7 Si 0.77949 0.22051 0.75000 1.00000
  Si8 Si 0.22051 0.77949 0.25000 1.00000
  Si9 Si 0.23397 0.76603 0.75000 1.00000
  Si10 Si 0.76603 0.23397 0.25000 1.00000
  Rh1 Rh 0.99863 0.00137 0.75000 1.00000
  Rh2 Rh 0.00137 0.99863 0.25000 1.00000
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