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Rb(SbO3)2

Alexandria ALEX

Alex-ID: agm005676375 · Space group: Fd-3m (#227)

Basic Information

Formula
Rb(SbO3)2
Alex-ID
agm005676375
Elements
3
Sites
18
Space group
Fd-3m (#227)
Crystal system
cubic
Volume
282.92
ų
Cell a
7.3687
Å
Cell b
7.3687
Å
Cell c
7.3687
Å
α angle
60.00
°
β angle
60.00
°
γ angle
60.00
°

Composition

Element Composition (atomic fraction)
Composition Info
Formula
Rb(SbO3)2
Rb
2.00 · 11.1%
Sb
4.00 · 22.2%
O
12.00 · 66.7%

Energy & Stability

Energy above hull
0.0737
eV/atom
Formation energy
-1.8312
eV/atom
Corrected total energy
-110.8854
eV
Raw total energy
-102.4580
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0000
eV
DOS at Fermi level
6.1592
Total magnetisation
2.1038
μB

Additional Information

Prototype ID

AB2C6_177_spg227

Decomposition

RbO12 Rb2Sb4O11 RbSb5O13

Computed at

2023-07-09 01:52:40.197017

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: agm005676375).

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 agm005676375
data_agm005676375
_cell_length_a     7.36870
_cell_length_b     7.36870
_cell_length_c     7.36870
_cell_angle_alpha  60.00000
_cell_angle_beta   60.00000
_cell_angle_gamma  60.00000
_cell_volume       282.91585
_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 0.50000 0.50000 0.50000 1.00000
  Rb2 Rb 0.75000 0.75000 0.75000 1.00000
  Sb1 Sb 0.12500 0.12500 0.12500 1.00000
  Sb2 Sb 0.12500 0.62500 0.12500 1.00000
  Sb3 Sb 0.12500 0.12500 0.62500 1.00000
  Sb4 Sb 0.62500 0.12500 0.12500 1.00000
  O1 O 0.19971 0.19971 0.80029 1.00000
  O2 O 0.80029 0.80029 0.19971 1.00000
  O3 O 0.19971 0.80029 0.19971 1.00000
  O4 O 0.19971 0.80029 0.80029 1.00000
  O5 O 0.44971 0.44971 0.05029 1.00000
  O6 O 0.44971 0.05029 0.05029 1.00000
  O7 O 0.80029 0.19971 0.80029 1.00000
  O8 O 0.05029 0.05029 0.44971 1.00000
  O9 O 0.44971 0.05029 0.44971 1.00000
  O10 O 0.05029 0.44971 0.44971 1.00000
  O11 O 0.80029 0.19971 0.19971 1.00000
  O12 O 0.05029 0.44971 0.05029 1.00000
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