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HEAS Data Platform · Materials Science Database

Tb8Ag4Sn

Alexandria ALEX

Alex-ID: agm097329757 · Space group: Amm2 (#38)

Basic Information

Formula
Tb8Ag4Sn
Alex-ID
agm097329757
Elements
3
Sites
13
Space group
Amm2 (#38)
Crystal system
orthorhombic
Volume
362.19
ų
Cell a
10.7605
Å
Cell b
10.7604
Å
Cell c
3.7783
Å
α angle
90.01
°
β angle
89.99
°
γ angle
124.12
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Tb8Ag4Sn
Tb
8.00 · 61.5%
Ag
4.00 · 30.8%
Sn
1.00 · 7.7%

Energy & Stability

Energy above hull
0.1745
eV/atom
Formation energy
-0.1667
eV/atom
Corrected total energy
-54.6331
eV
Raw total energy
-54.6331
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0101
eV
DOS at Fermi level
13.3211
Total magnetisation
-0.0022
μB

Additional Information

Prototype ID

AB4C8_807_spg44

Decomposition

Tb5Sn3 TbAg Tb

Computed at

2025-06-01 21:00:15

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: agm097329757).

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 agm097329757
data_agm097329757
_cell_length_a     10.76050
_cell_length_b     10.76043
_cell_length_c     3.77833
_cell_angle_alpha  90.00926
_cell_angle_beta   89.99079
_cell_angle_gamma  124.11766
_cell_volume       362.18711
_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 0.94954 0.65647 0.34678 1.00000
  Tb2 Tb 0.27345 0.28825 0.84668 1.00000
  Tb3 Tb 0.69016 0.30985 0.84674 1.00000
  Tb4 Tb 0.65185 0.99585 0.34666 1.00000
  Tb5 Tb 0.34353 0.05046 0.34678 1.00000
  Tb6 Tb 0.38366 0.61635 0.34669 1.00000
  Tb7 Tb 0.71175 0.72654 0.84668 1.00000
  Tb8 Tb 0.00414 0.34815 0.34666 1.00000
  Ag1 Ag 0.90276 0.09723 0.84661 1.00000
  Ag2 Ag 0.12946 0.60042 0.84674 1.00000
  Ag3 Ag 0.55644 0.44356 0.34672 1.00000
  Ag4 Ag 0.39958 0.87054 0.84674 1.00000
  Sn1 Sn 0.01545 0.98454 0.34638 1.00000
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