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RbAg2Sn

Alexandria ALEX

Alex-ID: agm005776207 · Space group: Pmmn (#59)

Basic Information

Formula
RbAg2Sn
Alex-ID
agm005776207
Elements
3
Sites
8
Space group
Pmmn (#59)
Crystal system
orthorhombic
Volume
258.41
ų
Cell a
4.9337
Å
Cell b
6.8816
Å
Cell c
7.6110
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
RbAg2Sn
Rb
2.00 · 25.0%
Ag
4.00 · 50.0%
Sn
2.00 · 25.0%

Energy & Stability

Energy above hull
0.0421
eV/atom
Formation energy
-0.1021
eV/atom
Corrected total energy
-22.1625
eV
Raw total energy
-22.1625
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.6090
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2_3773_spg59

Decomposition

Ag RbSn

Computed at

2023-07-13 08:31:03.306970

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: agm005776207).

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 agm005776207
data_agm005776207
_cell_length_a     4.93368
_cell_length_b     6.88162
_cell_length_c     7.61102
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  89.99999
_cell_volume       258.40737
_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
  Rb1 Rb 0.50000 0.89574 0.00000 1.00000
  Rb2 Rb 1.00000 0.10426 0.50000 1.00000
  Ag1 Ag 0.00000 0.57731 0.68755 1.00000
  Ag2 Ag 0.50000 0.42269 0.81245 1.00000
  Ag3 Ag 0.00000 0.57731 0.31245 1.00000
  Ag4 Ag 0.50000 0.42269 0.18755 1.00000
  Sn1 Sn 0.50000 0.64746 0.50000 1.00000
  Sn2 Sn 0.00000 0.35254 0.00000 1.00000
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