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Tb5Ga4(AgSn2)2

Alexandria ALEX

Alex-ID: agm009586298 · Space group: Amm2 (#38)

Basic Information

Formula
Tb5Ga4(AgSn2)2
Alex-ID
agm009586298
Elements
4
Sites
15
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
348.72
ų
Cell a
20.3638
Å
Cell b
20.3638
Å
Cell c
3.6494
Å
α angle
90.00
°
β angle
90.00
°
γ angle
166.68
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb5Ga4(AgSn2)2
Tb
5.00 · 33.3%
Ga
4.00 · 26.7%
Ag
2.00 · 13.3%
Sn
4.00 · 26.7%

Energy & Stability

Energy above hull
0.1229
eV/atom
Formation energy
-0.5007
eV/atom
Corrected total energy
-64.5029
eV
Raw total energy
-64.5029
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
8.4385
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B4C4D5_0_spg38

Decomposition

TbAgSn TbGa2 TbSn2

Computed at

2024-03-25 19:49:45.680475

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: agm009586298).

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 agm009586298
data_agm009586298
_cell_length_a     20.36381
_cell_length_b     20.36381
_cell_length_c     3.64944
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  166.67777
_cell_volume       348.72078
_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 0.00065 0.99935 0.00000 1.00000
  Tb2 Tb 0.59771 0.40229 0.00000 1.00000
  Tb3 Tb 0.20019 0.79981 0.00000 1.00000
  Tb4 Tb 0.80011 0.19989 0.00000 1.00000
  Tb5 Tb 0.40129 0.59871 0.00000 1.00000
  Ga1 Ga 0.26587 0.73413 0.50000 1.00000
  Ga2 Ga 0.86753 0.13247 0.50000 1.00000
  Ga3 Ga 0.47132 0.52868 0.50000 1.00000
  Ga4 Ga 0.53422 0.46578 0.50000 1.00000
  Ag1 Ag 0.06343 0.93657 0.50000 1.00000
  Ag2 Ag 0.66535 0.33465 0.50000 1.00000
  Sn1 Sn 0.13153 0.86847 0.50000 1.00000
  Sn2 Sn 0.73281 0.26719 0.50000 1.00000
  Sn3 Sn 0.33355 0.66645 0.50000 1.00000
  Sn4 Sn 0.93490 0.06510 0.50000 1.00000
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