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Sr2Sn4PdRh3

Alexandria ALEX

Alex-ID: agm004527675 · Space group: P-4m2 (#115)

Basic Information

Formula
Sr2Sn4PdRh3
Alex-ID
agm004527675
Elements
4
Sites
10
Space group
P-4m2 (#115)
Crystal system
tetragonal
Volume
230.25
ų
Cell a
4.6723
Å
Cell b
4.6723
Å
Cell c
10.5472
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr2Sn4PdRh3
Sr
2.00 · 20.0%
Sn
4.00 · 40.0%
Pd
1.00 · 10.0%
Rh
3.00 · 30.0%

Energy & Stability

Energy above hull
0.0113
eV/atom
Formation energy
-0.6469
eV/atom
Corrected total energy
-53.1070
eV
Raw total energy
-53.1070
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
5.9214
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C3D4_52_spg115

Decomposition

Sr2Sn4Pd3Rh Sr(SnRh)2

Computed at

2022-06-21 22:16:43.912639

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: agm004527675).

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 agm004527675
data_agm004527675
_cell_length_a     4.67227
_cell_length_b     4.67227
_cell_length_c     10.54715
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       230.24534
_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 0.50000 0.00000 0.25640 1.00000
  Sr2 Sr 0.00000 0.50000 0.74360 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 0.62454 1.00000
  Sn4 Sn 0.00000 0.50000 0.37546 1.00000
  Pd1 Pd 0.50000 0.50000 0.50000 1.00000
  Rh1 Rh 0.00000 0.00000 0.50000 1.00000
  Rh2 Rh 0.50000 0.00000 0.87391 1.00000
  Rh3 Rh 0.00000 0.50000 0.12609 1.00000
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