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Ac2Ag3Sn

Alexandria ALEX

Alex-ID: agm005635339 · Space group: Imm2 (#44)

Basic Information

Formula
Ac2Ag3Sn
Alex-ID
agm005635339
Elements
3
Sites
6
Space group
Imm2 (#44)
Crystal system
orthorhombic
Volume
175.35
ų
Cell a
4.3217
Å
Cell b
4.6384
Å
Cell c
9.3041
Å
α angle
104.43
°
β angle
103.43
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Ac2Ag3Sn
Ac
2.00 · 33.3%
Ag
3.00 · 50.0%
Sn
1.00 · 16.7%

Energy & Stability

Energy above hull
0.0847
eV/atom
Formation energy
-0.3677
eV/atom
Corrected total energy
-22.9796
eV
Raw total energy
-22.9796
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
4.0339
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3_55_spg44

Decomposition

AcAgSn AcAg2

Computed at

2023-08-07 02:30:28.346300

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: agm005635339).

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 agm005635339
data_agm005635339
_cell_length_a     4.32168
_cell_length_b     4.63844
_cell_length_c     9.30405
_cell_angle_alpha  104.43430
_cell_angle_beta   103.42941
_cell_angle_gamma  90.00000
_cell_volume       175.34966
_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
  Ac1 Ac 0.12624 0.12624 0.25249 1.00000
  Ac2 Ac 0.87283 0.37283 0.74567 1.00000
  Ag1 Ag 0.70089 0.70089 0.40178 1.00000
  Ag2 Ag 0.54305 0.54305 0.08610 1.00000
  Ag3 Ag 0.29723 0.79723 0.59445 1.00000
  Sn1 Sn 0.45976 0.95976 0.91951 1.00000
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