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Tb3(AlSn2)2

Alexandria ALEX

Alex-ID: agm005687400 · Space group: C2/m (#12)

Basic Information

Formula
Tb3(AlSn2)2
Alex-ID
agm005687400
Elements
3
Sites
9
Space group
C2/m (#12)
Crystal system
monoclinic
Volume
228.43
ų
Cell a
4.5635
Å
Cell b
6.8418
Å
Cell c
8.1890
Å
α angle
110.65
°
β angle
106.15
°
γ angle
90.02
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb3(AlSn2)2
Tb
3.00 · 33.3%
Al
2.00 · 22.2%
Sn
4.00 · 44.4%

Energy & Stability

Energy above hull
0.0626
eV/atom
Formation energy
-0.5168
eV/atom
Corrected total energy
-42.0505
eV
Raw total energy
-42.0505
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
3.7750
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B3C4_9_spg12

Decomposition

TbAl2 TbSn2

Computed at

2023-06-30 19:26:33.563050

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: agm005687400).

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 agm005687400
data_agm005687400
_cell_length_a     4.56345
_cell_length_b     6.84181
_cell_length_c     8.18901
_cell_angle_alpha  110.65465
_cell_angle_beta   106.14722
_cell_angle_gamma  90.01531
_cell_volume       228.42697
_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 0.13069 0.64042 0.26136 1.00000
  Tb2 Tb 0.86931 0.35958 0.73864 1.00000
  Tb3 Tb 0.00000 0.00000 0.00000 1.00000
  Al1 Al 0.65529 0.99285 0.31123 1.00000
  Al2 Al 0.34471 0.00715 0.68877 1.00000
  Sn1 Sn 0.47331 0.68603 0.94707 1.00000
  Sn2 Sn 0.21521 0.24935 0.43128 1.00000
  Sn3 Sn 0.52669 0.31397 0.05293 1.00000
  Sn4 Sn 0.78479 0.75065 0.56872 1.00000
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