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Sr4Bi2Rh

Alexandria ALEX

Alex-ID: agm096203256 · Space group: P2/m (#10)

Basic Information

Formula
Sr4Bi2Rh
Alex-ID
agm096203256
Elements
3
Sites
7
Space group
P2/m (#10)
Crystal system
monoclinic
Volume
271.15
ų
Cell a
5.7664
Å
Cell b
5.2665
Å
Cell c
8.9332
Å
α angle
90.00
°
β angle
91.84
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr4Bi2Rh
Sr
4.00 · 57.1%
Bi
2.00 · 28.6%
Rh
1.00 · 14.3%

Energy & Stability

Energy above hull
0.1993
eV/atom
Formation energy
-0.5290
eV/atom
Corrected total energy
-25.5744
eV
Raw total energy
-25.5744
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
2.8140
Total magnetisation
0.0000
μB

Additional Information

Prototype ID

AB2C4_344_spg2

Decomposition

Sr5Rh2 Sr5Bi3 SrRh2

Computed at

2025-04-11 12:53:06

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: agm096203256).

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 agm096203256
data_agm096203256
_cell_length_a     5.76638
_cell_length_b     5.26651
_cell_length_c     8.93322
_cell_angle_alpha  90.00000
_cell_angle_beta   91.83808
_cell_angle_gamma  90.00000
_cell_volume       271.15100
_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 0.27760 0.50000 0.15822 1.00000
  Sr2 Sr 0.25435 0.00000 0.67772 1.00000
  Sr3 Sr 0.74565 0.00000 0.32228 1.00000
  Sr4 Sr 0.72240 0.50000 0.84178 1.00000
  Bi1 Bi 0.00000 0.00000 0.00000 1.00000
  Bi2 Bi 0.00000 0.50000 0.50000 1.00000
  Rh1 Rh 0.50000 0.00000 0.00000 1.00000
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