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Tb8Co2Sn

Alexandria ALEX

Alex-ID: agm003535366 · Space group: C2/m (#12)

Basic Information

Formula
Tb8Co2Sn
Alex-ID
agm003535366
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
295.44
ų
Cell a
5.3224
Å
Cell b
7.8935
Å
Cell c
7.8935
Å
α angle
113.64
°
β angle
97.32
°
γ angle
97.32
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb8Co2Sn
Tb
8.00 · 72.7%
Co
2.00 · 18.2%
Sn
1.00 · 9.1%

Energy & Stability

Energy above hull
0.1128
eV/atom
Formation energy
-0.1670
eV/atom
Corrected total energy
-57.1459
eV
Raw total energy
-57.1459
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0184
eV
DOS at Fermi level
12.9679
Total magnetisation
0.0011
μB

Additional Information

Prototype ID

AB2C8_281_spg12

Decomposition

Tb3Co Tb5Sn3 Tb

Computed at

2022-03-14 21:11:14.722197

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: agm003535366).

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 agm003535366
data_agm003535366
_cell_length_a     5.32237
_cell_length_b     7.89354
_cell_length_c     7.89354
_cell_angle_alpha  113.64480
_cell_angle_beta   97.31783
_cell_angle_gamma  97.31783
_cell_volume       295.44225
_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 0.93014 0.93003 0.67062 1.00000
  Tb2 Tb 0.93014 0.67062 0.93003 1.00000
  Tb3 Tb 0.30014 0.60931 0.60931 1.00000
  Tb4 Tb 0.50000 0.74932 0.25068 1.00000
  Tb5 Tb 0.50000 0.25068 0.74932 1.00000
  Tb6 Tb 0.69986 0.39069 0.39069 1.00000
  Tb7 Tb 0.06986 0.32938 0.06997 1.00000
  Tb8 Tb 0.06986 0.06997 0.32938 1.00000
  Co1 Co 0.00000 0.30521 0.69479 1.00000
  Co2 Co 0.00000 0.69479 0.30521 1.00000
  Sn1 Sn 0.50000 0.00000 0.00000 1.00000
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