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Ba2Ag3Sn4Pt

Alexandria ALEX

Alex-ID: agm004516094 · Space group: P-4m2 (#115)

Basic Information

Formula
Ba2Ag3Sn4Pt
Alex-ID
agm004516094
Elements
4
Sites
10
Space group
P-4m2 (#115)
Crystal system
tetragonal
Volume
268.88
ų
Cell a
4.8644
Å
Cell b
4.8644
Å
Cell c
11.3629
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ba2Ag3Sn4Pt
Ba
2.00 · 20.0%
Ag
3.00 · 30.0%
Sn
4.00 · 40.0%
Pt
1.00 · 10.0%

Energy & Stability

Energy above hull
0.0396
eV/atom
Formation energy
-0.4582
eV/atom
Corrected total energy
-39.0810
eV
Raw total energy
-39.0810
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.6241
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3D4_7_spg115

Decomposition

BaSn2Pt Ba(AgSn)2 Ag

Computed at

2022-06-21 00:44:23.033922

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: agm004516094).

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 agm004516094
data_agm004516094
_cell_length_a     4.86444
_cell_length_b     4.86444
_cell_length_c     11.36295
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       268.87897
_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
  Ba1 Ba 0.50000 0.00000 0.25944 1.00000
  Ba2 Ba 0.00000 0.50000 0.74056 1.00000
  Ag1 Ag 0.00000 0.00000 0.50000 1.00000
  Ag2 Ag 0.50000 0.00000 0.86223 1.00000
  Ag3 Ag 0.00000 0.50000 0.13777 1.00000
  Sn1 Sn 0.50000 0.50000 0.00000 1.00000
  Sn2 Sn 0.00000 0.00000 0.00000 1.00000
  Sn3 Sn 0.50000 0.00000 0.61461 1.00000
  Sn4 Sn 0.00000 0.50000 0.38539 1.00000
  Pt1 Pt 0.50000 0.50000 0.50000 1.00000
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