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SrSn3Rh

Alexandria ALEX

Alex-ID: agm002189607 · Space group: I4mm (#107)

Basic Information

Formula
SrSn3Rh
Alex-ID
agm002189607
Elements
3
Sites
5
Space group
I4mm (#107)
Crystal system
tetragonal
Volume
131.10
ų
Cell a
4.8479
Å
Cell b
4.8479
Å
Cell c
6.5401
Å
α angle
111.68
°
β angle
111.68
°
γ angle
89.89
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
SrSn3Rh
Sr
1.00 · 20.0%
Rh
1.00 · 20.0%
Sn
3.00 · 60.0%

Energy & Stability

Energy above hull
0.0007
eV/atom
Formation energy
-0.5621
eV/atom
Corrected total energy
-23.8598
eV
Raw total energy
-23.8598
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.9317
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

ABC3_4_spg107

Decomposition

Sr3Sn13Rh4 SrSn2Rh SrSn

Computed at

2018-05-26 05:11:55

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: agm002189607).

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 agm002189607
data_agm002189607
_cell_length_a     4.84786
_cell_length_b     4.84786
_cell_length_c     6.54006
_cell_angle_alpha  111.68311
_cell_angle_beta   111.68311
_cell_angle_gamma  89.89049
_cell_volume       131.09859
_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
  Sr1 Sr 0.99323 0.99323 0.98675 1.00000
  Rh1 Rh 0.64613 0.64613 0.29250 1.00000
  Sn1 Sn 0.41665 0.41665 0.83263 1.00000
  Sn2 Sn 0.74295 0.24204 0.48506 1.00000
  Sn3 Sn 0.24204 0.74295 0.48506 1.00000
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