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Tb6Cd2Sn

Alexandria ALEX

Alex-ID: agm003502292 · Space group: Immm (#71)

Basic Information

Formula
Tb6Cd2Sn
Alex-ID
agm003502292
Elements
3
Sites
18
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
527.34
ų
Cell a
8.8178
Å
Cell b
8.8178
Å
Cell c
8.8178
Å
α angle
110.25
°
β angle
110.65
°
γ angle
107.53
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb6Cd2Sn
Tb
12.00 · 66.7%
Cd
4.00 · 22.2%
Sn
2.00 · 11.1%

Energy & Stability

Energy above hull
0.1111
eV/atom
Formation energy
-0.2489
eV/atom
Corrected total energy
-71.7673
eV
Raw total energy
-71.7673
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0051
eV
DOS at Fermi level
20.2655
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C6_730_spg71

Decomposition

Tb2Cd Tb5Sn3 Tb

Computed at

2022-02-23 17:52:05.743802

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: agm003502292).

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 agm003502292
data_agm003502292
_cell_length_a     8.81784
_cell_length_b     8.81784
_cell_length_c     8.81784
_cell_angle_alpha  110.25397
_cell_angle_beta   110.64615
_cell_angle_gamma  107.53104
_cell_volume       527.33516
_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 0.55632 0.73494 0.82137 1.00000
  Tb2 Tb 0.44368 0.26506 0.17863 1.00000
  Tb3 Tb 0.08643 0.26506 0.82137 1.00000
  Tb4 Tb 0.91357 0.73494 0.17863 1.00000
  Tb5 Tb 0.79922 0.74611 0.54532 1.00000
  Tb6 Tb 0.20078 0.25389 0.45468 1.00000
  Tb7 Tb 0.20078 0.74611 0.94689 1.00000
  Tb8 Tb 0.79922 0.25389 0.05311 1.00000
  Tb9 Tb 0.73053 0.40590 0.67537 1.00000
  Tb10 Tb 0.26947 0.59410 0.32463 1.00000
  Tb11 Tb 0.26947 0.94483 0.67537 1.00000
  Tb12 Tb 0.73053 0.05517 0.32463 1.00000
  Cd1 Cd 0.50000 0.36197 0.86197 1.00000
  Cd2 Cd 0.50000 0.63803 0.13803 1.00000
  Cd3 Cd 0.64020 0.00000 0.64020 1.00000
  Cd4 Cd 0.35980 1.00000 0.35980 1.00000
  Sn1 Sn 0.00000 0.50000 0.50000 1.00000
  Sn2 Sn 0.00000 0.00000 0.00000 1.00000
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