Navigation

HEAS Data Platform · Materials Science Database

Tb7(AlSn)2

Alexandria ALEX

Alex-ID: agm003323402 · Space group: Cmmm (#65)

Basic Information

Formula
Tb7(AlSn)2
Alex-ID
agm003323402
Elements
3
Sites
11
Space group
Cmmm (#65)
Crystal system
orthorhombic
Volume
332.57
ų
Cell a
6.7523
Å
Cell b
7.7241
Å
Cell c
6.7523
Å
α angle
90.00
°
β angle
109.21
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb7(AlSn)2
Tb
7.00 · 63.6%
Al
2.00 · 18.2%
Sn
2.00 · 18.2%

Energy & Stability

Energy above hull
0.3391
eV/atom
Formation energy
-0.1670
eV/atom
Corrected total energy
-49.7603
eV
Raw total energy
-49.7603
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
11.6767
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B2C7_243_spg65

Decomposition

Tb2Al Tb5Sn3 TbAl

Computed at

2022-01-24 00:55:08.928941

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: agm003323402).

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 agm003323402
data_agm003323402
_cell_length_a     6.75235
_cell_length_b     7.72406
_cell_length_c     6.75235
_cell_angle_alpha  90.00132
_cell_angle_beta   109.20611
_cell_angle_gamma  89.99868
_cell_volume       332.57105
_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 0.00000 0.29234 0.49997 1.00000
  Tb2 Tb 0.49997 0.70766 0.00000 1.00000
  Tb3 Tb 1.00000 0.70766 0.50003 1.00000
  Tb4 Tb 0.50003 0.29234 1.00000 1.00000
  Tb5 Tb 0.00000 0.00000 0.00000 1.00000
  Tb6 Tb 0.49999 0.72071 0.50001 1.00000
  Tb7 Tb 0.50001 0.27929 0.49999 1.00000
  Al1 Al 0.83196 0.50000 0.83196 1.00000
  Al2 Al 0.16804 0.50000 0.16804 1.00000
  Sn1 Sn 0.70276 0.99999 0.29724 1.00000
  Sn2 Sn 0.29724 0.00001 0.70276 1.00000
Get direct link