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Rb8SbO3

Alexandria ALEX

Alex-ID: agm005231372 · Space group: Pm-3m (#221)

Alexandria Database API

Basic Information

Formula
Rb8SbO3
Alex-ID
agm005231372
Elements
3
Sites
12
Space group
Pm-3m (#221)
Crystal system
cubic
Volume
412.54
ų
Cell a
7.4443
Å
Cell b
7.4443
Å
Cell c
7.4443
Å
α angle
90.00
°
β angle
90.00
°
γ angle
90.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb8SbO3
Rb
8.00 · 66.7%
Sb
1.00 · 8.3%
O
3.00 · 25.0%

Energy & Stability

Energy above hull
0.2529
eV/atom
Formation energy
-0.7911
eV/atom
Corrected total energy
-36.2306
eV
Raw total energy
-34.1237
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
16.0944
Total magnetisation
1.1984
μB

Additional Information

Prototype ID

AB3C8_15_spg221

Decomposition

Rb3SbO3 Rb

Computed at

2023-05-05 07:25:45.501782

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: agm005231372).

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 agm005231372
data_agm005231372
_cell_length_a     7.44429
_cell_length_b     7.44429
_cell_length_c     7.44429
_cell_angle_alpha  90.00000
_cell_angle_beta   90.00000
_cell_angle_gamma  90.00000
_cell_volume       412.54339
_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
  Rb1 Rb 0.26811 0.26811 0.26811 1.00000
  Rb2 Rb 0.73189 0.73189 0.26811 1.00000
  Rb3 Rb 0.73189 0.26811 0.73189 1.00000
  Rb4 Rb 0.26811 0.73189 0.73189 1.00000
  Rb5 Rb 0.26811 0.26811 0.73189 1.00000
  Rb6 Rb 0.73189 0.73189 0.73189 1.00000
  Rb7 Rb 0.73189 0.26811 0.26811 1.00000
  Rb8 Rb 0.26811 0.73189 0.26811 1.00000
  Sb1 Sb 0.00000 0.00000 0.00000 1.00000
  O1 O 0.00000 0.50000 0.50000 1.00000
  O2 O 0.50000 0.50000 0.00000 1.00000
  O3 O 0.50000 0.00000 0.50000 1.00000
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