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Sr5Rh2

Alexandria ALEX

Alex-ID: agm024348282 · Space group: P-1 (#2)

Basic Information

Formula
Sr5Rh2
Alex-ID
agm024348282
Elements
2
Sites
7
Space group
P-1 (#2)
Crystal system
triclinic
Volume
270.80
ų
Cell a
6.1057
Å
Cell b
6.8282
Å
Cell c
7.3843
Å
α angle
82.85
°
β angle
68.44
°
γ angle
71.05
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr5Rh2
Sr
5.00 · 71.4%
Rh
2.00 · 28.6%

Energy & Stability

Energy above hull
0.0778
eV/atom
Formation energy
-0.1451
eV/atom
Corrected total energy
-24.1659
eV
Raw total energy
-24.1659
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0269
eV
DOS at Fermi level
5.3178
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

A2B5_6_spg166

Decomposition

Sr5Rh2

Computed at

2025-05-29 16:18:59

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: agm024348282).

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 agm024348282
data_agm024348282
_cell_length_a     6.10570
_cell_length_b     6.82821
_cell_length_c     7.38432
_cell_angle_alpha  82.84778
_cell_angle_beta   68.44484
_cell_angle_gamma  71.04669
_cell_volume       270.80071
_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 0.83623 0.59522 0.76003 1.00000
  Sr2 Sr 0.16377 0.40478 0.23997 1.00000
  Sr3 Sr 0.00000 0.00000 0.00000 1.00000
  Sr4 Sr 0.45799 0.79404 0.37928 1.00000
  Sr5 Sr 0.54201 0.20596 0.62072 1.00000
  Rh1 Rh 0.05490 0.14538 0.59707 1.00000
  Rh2 Rh 0.94510 0.85462 0.40293 1.00000
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