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Sr3Bi2Rh7

Alexandria ALEX

Alex-ID: agm101588397 · Space group: R-3m (#166)

Basic Information

Formula
Sr3Bi2Rh7
Alex-ID
agm101588397
Elements
3
Sites
12
Space group
R-3m (#166)
Crystal system
trigonal
Volume
251.14
ų
Cell a
9.1378
Å
Cell b
9.1378
Å
Cell c
9.1378
Å
α angle
37.30
°
β angle
37.30
°
γ angle
37.30
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Sr3Bi2Rh7
Sr
3.00 · 25.0%
Bi
2.00 · 16.7%
Rh
7.00 · 58.3%

Energy & Stability

Energy above hull
0.1496
eV/atom
Formation energy
-0.2281
eV/atom
Corrected total energy
-67.0283
eV
Raw total energy
-67.0283
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
12.5883
Total magnetisation
0.0001
μB

Additional Information

Prototype ID

A2B3C7_69_spg12

Decomposition

Sr16Bi11 Rh SrRh2

Computed at

2025-05-17 13:38:06

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: agm101588397).

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 agm101588397
data_agm101588397
_cell_length_a     9.13777
_cell_length_b     9.13777
_cell_length_c     9.13777
_cell_angle_alpha  37.29609
_cell_angle_beta   37.29609
_cell_angle_gamma  37.29609
_cell_volume       251.14174
_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 0.00000 0.00000 0.00000 1.00000
  Sr2 Sr 0.85993 0.85993 0.85993 1.00000
  Sr3 Sr 0.14007 0.14007 0.14007 1.00000
  Bi1 Bi 0.66692 0.66692 0.66692 1.00000
  Bi2 Bi 0.33308 0.33308 0.33308 1.00000
  Rh1 Rh 0.50000 0.50000 0.50000 1.00000
  Rh2 Rh 0.41719 0.41719 0.91298 1.00000
  Rh3 Rh 0.91298 0.41719 0.41719 1.00000
  Rh4 Rh 0.41719 0.91298 0.41719 1.00000
  Rh5 Rh 0.58281 0.58281 0.08702 1.00000
  Rh6 Rh 0.58281 0.08702 0.58281 1.00000
  Rh7 Rh 0.08702 0.58281 0.58281 1.00000
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