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RbSn2Rh

Alexandria ALEX

Alex-ID: agm002879620 · Space group: I4_1/amd (#141)

Basic Information

Formula
RbSn2Rh
Alex-ID
agm002879620
Elements
3
Sites
8
Space group
I4_1/amd (#141)
Crystal system
tetragonal
Volume
321.81
ų
Cell a
6.4931
Å
Cell b
6.4931
Å
Cell c
8.9075
Å
α angle
68.63
°
β angle
68.63
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
RbSn2Rh
Rh
2.00 · 25.0%
Sn
4.00 · 50.0%
Rb
2.00 · 25.0%

Energy & Stability

Energy above hull
0.2912
eV/atom
Formation energy
-0.0935
eV/atom
Corrected total energy
-33.3976
eV
Raw total energy
-33.3976
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0064
eV
DOS at Fermi level
1.7457
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC2_1068_spg122

Decomposition

SnRh RbSn

Computed at

2016-12-18 17:57:55

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: agm002879620).

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 agm002879620
data_agm002879620
_cell_length_a     6.49305
_cell_length_b     6.49305
_cell_length_c     8.90754
_cell_angle_alpha  68.62507
_cell_angle_beta   68.62507
_cell_angle_gamma  90.00000
_cell_volume       321.80980
_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
  Rh1 Rh 0.00000 0.00000 0.00000 1.00000
  Rh2 Rh 0.75000 0.25000 0.50000 1.00000
  Sn1 Sn 0.87443 0.12500 0.25000 1.00000
  Sn2 Sn 0.87557 0.62500 0.25000 1.00000
  Sn3 Sn 0.37500 0.12557 0.75000 1.00000
  Sn4 Sn 0.87500 0.12443 0.75000 1.00000
  Rb1 Rb 0.50000 0.50000 0.00000 1.00000
  Rb2 Rb 0.25000 0.75000 0.50000 1.00000
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