Ba2Sb3O7
Alexandria ALEXAlex-ID: agm005230109 · Space group: Pmm2 (#25)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_149_spg25
Ba(SbO3)2 Sb2O3 Ba2Sb2O5
2023-05-05 08:09:31.471761
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005230109).
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
@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…
# CIF generated by HEAS from Alexandria entry agm005230109
data_agm005230109
_cell_length_a 4.15268
_cell_length_b 4.14712
_cell_length_c 11.71335
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 201.72356
_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
Ba1 Ba 0.51082 0.50000 0.30222 1.00000
Ba2 Ba 0.51082 0.50000 0.69778 1.00000
Sb1 Sb 0.00269 0.00000 0.12862 1.00000
Sb2 Sb 0.00269 0.00000 0.87138 1.00000
Sb3 Sb 0.05581 0.00000 0.50000 1.00000
O1 O 0.90124 0.50000 0.50000 1.00000
O2 O 0.50134 0.00000 0.15054 1.00000
O3 O 0.50134 0.00000 0.84946 1.00000
O4 O 0.00179 0.50000 0.14933 1.00000
O5 O 0.00179 0.50000 0.85067 1.00000
O6 O 0.99593 0.00000 0.31330 1.00000
O7 O 0.99593 0.00000 0.68670 1.00000
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