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Tb8Cd2Sn

Alexandria ALEX

Alex-ID: agm003528151 · Space group: C2/m (#12)

Basic Information

Formula
Tb8Cd2Sn
Alex-ID
agm003528151
Elements
3
Sites
11
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
329.25
ų
Cell a
5.4960
Å
Cell b
8.5604
Å
Cell c
8.5604
Å
α angle
118.49
°
β angle
100.82
°
γ angle
100.82
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb8Cd2Sn
Tb
8.00 · 72.7%
Cd
2.00 · 18.2%
Sn
1.00 · 9.1%

Energy & Stability

Energy above hull
0.1794
eV/atom
Formation energy
-0.1151
eV/atom
Corrected total energy
-44.1750
eV
Raw total energy
-44.1750
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0040
eV
DOS at Fermi level
14.3345
Total magnetisation
0.0005
μB

Additional Information

Prototype ID

AB2C8_279_spg12

Decomposition

Tb2Cd Tb5Sn3 Tb

Computed at

2022-03-13 21:15:42.708722

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: agm003528151).

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 agm003528151
data_agm003528151
_cell_length_a     5.49605
_cell_length_b     8.56037
_cell_length_c     8.56037
_cell_angle_alpha  118.49426
_cell_angle_beta   100.82010
_cell_angle_gamma  100.82010
_cell_volume       329.24599
_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 0.88742 0.90910 0.68374 1.00000
  Tb2 Tb 0.88742 0.68374 0.90910 1.00000
  Tb3 Tb 0.30033 0.60206 0.60206 1.00000
  Tb4 Tb 0.50000 0.77849 0.22151 1.00000
  Tb5 Tb 0.50000 0.22151 0.77849 1.00000
  Tb6 Tb 0.69967 0.39794 0.39794 1.00000
  Tb7 Tb 0.11258 0.31626 0.09090 1.00000
  Tb8 Tb 0.11258 0.09090 0.31626 1.00000
  Cd1 Cd 0.00000 0.30724 0.69276 1.00000
  Cd2 Cd 0.00000 0.69276 0.30724 1.00000
  Sn1 Sn 0.50000 0.00000 0.00000 1.00000
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