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Ag(SbO3)2

Alexandria ALEX

Alex-ID: agm005754827 · Space group: P2_1/c (#14)

Basic Information

Formula
Ag(SbO3)2
Alex-ID
agm005754827
Elements
3
Sites
18
Space group
P2_1/c (#14)
Crystal system
monoclinic
Volume
264.48
ų
Cell a
4.7266
Å
Cell b
5.1860
Å
Cell c
10.8171
Å
α angle
90.00
°
β angle
85.91
°
γ angle
90.00
°

Composition

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

Energy & Stability

Energy above hull
0.2020
eV/atom
Formation energy
-1.3108
eV/atom
Corrected total energy
-105.2852
eV
Raw total energy
-96.8577
eV

Electronic Structure

Indirect band gap
0.0000
eV
Direct band gap
0.0276
eV
DOS at Fermi level
4.3941
Total magnetisation
1.7127
μB

Additional Information

Prototype ID

AB2C6_2996_spg14

Decomposition

Ag(SbO3)2

Computed at

2023-07-09 00:30:55.210761

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: agm005754827).

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 agm005754827
data_agm005754827
_cell_length_a     4.72664
_cell_length_b     5.18598
_cell_length_c     10.81710
_cell_angle_alpha  90.00000
_cell_angle_beta   85.91146
_cell_angle_gamma  90.00000
_cell_volume       264.47644
_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
  Ag1 Ag 0.50000 0.50000 0.50000 1.00000
  Ag2 Ag 0.00000 0.00000 0.00000 1.00000
  Sb1 Sb 0.44687 0.95309 0.74668 1.00000
  Sb2 Sb 0.05313 0.45309 0.75332 1.00000
  Sb3 Sb 0.94687 0.54691 0.24668 1.00000
  Sb4 Sb 0.55313 0.04691 0.25332 1.00000
  O1 O 0.29877 0.22745 0.63006 1.00000
  O2 O 0.22793 0.72475 0.62783 1.00000
  O3 O 0.81633 0.12186 0.76284 1.00000
  O4 O 0.68367 0.62186 0.73716 1.00000
  O5 O 0.27207 0.22475 0.87217 1.00000
  O6 O 0.20123 0.72745 0.86994 1.00000
  O7 O 0.79877 0.27255 0.13006 1.00000
  O8 O 0.72793 0.77525 0.12783 1.00000
  O9 O 0.31633 0.37814 0.26284 1.00000
  O10 O 0.18367 0.87814 0.23716 1.00000
  O11 O 0.77207 0.27525 0.37217 1.00000
  O12 O 0.70123 0.77255 0.36994 1.00000
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