KSbO3
Alexandria ALEXAlex-ID: agm005506080 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_7136_spg2
KSbO3
2023-03-20 13:22:48.642808
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005506080).
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 agm005506080
data_agm005506080
_cell_length_a 3.70879
_cell_length_b 6.77221
_cell_length_c 8.54921
_cell_angle_alpha 103.34946
_cell_angle_beta 98.99583
_cell_angle_gamma 94.82172
_cell_volume 204.73681
_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
K1 K 0.15449 0.30341 0.82974 1.00000
K2 K 0.84551 0.69659 0.17026 1.00000
Sb1 Sb 0.63818 0.73827 0.68763 1.00000
Sb2 Sb 0.36182 0.26173 0.31237 1.00000
O1 O 0.30000 0.41543 0.15432 1.00000
O2 O 0.83052 0.11263 0.28511 1.00000
O3 O 0.18678 0.47660 0.52189 1.00000
O4 O 0.70000 0.58457 0.84568 1.00000
O5 O 0.16948 0.88737 0.71489 1.00000
O6 O 0.81322 0.52340 0.47811 1.00000
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