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Tb3(CoSi2)2

Alexandria ALEX

Alex-ID: agm005656094 · Space group: C2/m (#12)

Basic Information

Formula
Tb3(CoSi2)2
Alex-ID
agm005656094
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
167.24
ų
Cell a
3.9191
Å
Cell b
5.7335
Å
Cell c
8.0537
Å
α angle
99.83
°
β angle
90.00
°
γ angle
109.98
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb3(CoSi2)2
Tb
3.00 · 33.3%
Co
2.00 · 22.2%
Si
4.00 · 44.4%

Energy & Stability

Energy above hull
0.1039
eV/atom
Formation energy
-0.7168
eV/atom
Corrected total energy
-56.2875
eV
Raw total energy
-56.2875
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
7.5109
Total magnetisation
0.0002
μB

Additional Information

Prototype ID

A2B3C4_300_spg12

Decomposition

Tb(CoSi)2 TbSi

Computed at

2023-06-28 07:22:56.132351

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: agm005656094).

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 agm005656094
data_agm005656094
_cell_length_a     3.91905
_cell_length_b     5.73347
_cell_length_c     8.05369
_cell_angle_alpha  99.82647
_cell_angle_beta   90.00000
_cell_angle_gamma  109.98474
_cell_volume       167.23966
_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 0.66598 0.33196 0.65906 1.00000
  Tb2 Tb 0.00000 0.00000 0.00000 1.00000
  Tb3 Tb 0.33402 0.66804 0.34094 1.00000
  Co1 Co 0.60710 0.21420 0.27664 1.00000
  Co2 Co 0.39290 0.78580 0.72336 1.00000
  Si1 Si 0.71851 0.43703 0.06792 1.00000
  Si2 Si 0.28149 0.56297 0.93208 1.00000
  Si3 Si 0.94426 0.88853 0.61983 1.00000
  Si4 Si 0.05574 0.11147 0.38017 1.00000
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