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Sr2Pt2Rh

Alexandria ALEX

Alex-ID: agm005840909 · Space group: Immm (#71)

Basic Information

Formula
Sr2Pt2Rh
Alex-ID
agm005840909
Elements
3
Sites
5
Space group
Immm (#71)
Crystal system
orthorhombic
Volume
116.91
ų
Cell a
4.6267
Å
Cell b
5.4156
Å
Cell c
5.8698
Å
α angle
117.47
°
β angle
113.21
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr2Pt2Rh
Sr
2.00 · 40.0%
Pt
2.00 · 40.0%
Rh
1.00 · 20.0%

Energy & Stability

Energy above hull
0.0216
eV/atom
Formation energy
-0.6500
eV/atom
Corrected total energy
-26.1563
eV
Raw total energy
-26.1563
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
1.7138
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C2_47_spg71

Decomposition

SrPt SrPtRh

Computed at

2023-08-04 10:11:04.252432

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: agm005840909).

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 agm005840909
data_agm005840909
_cell_length_a     4.62669
_cell_length_b     5.41559
_cell_length_c     5.86985
_cell_angle_alpha  117.47139
_cell_angle_beta   113.21030
_cell_angle_gamma  89.99999
_cell_volume       116.91200
_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 0.80398 0.30398 0.60795 1.00000
  Sr2 Sr 0.19602 0.69602 0.39205 1.00000
  Pt1 Pt 0.50000 0.74793 1.00000 1.00000
  Pt2 Pt 0.50000 0.25207 0.00000 1.00000
  Rh1 Rh 0.00000 0.00000 0.00000 1.00000
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