CuSbO3
Alexandria ALEXAlex-ID: agm002171237 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_361_spg2
Cu(SbO3)2 Cu
2018-06-08 11:45:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002171237).
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
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# CIF generated by HEAS from Alexandria entry agm002171237
data_agm002171237
_cell_length_a 5.36584
_cell_length_b 5.36386
_cell_length_c 6.26150
_cell_angle_alpha 106.51618
_cell_angle_beta 106.74387
_cell_angle_gamma 117.96290
_cell_volume 132.37106
_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
Sb1 Sb 0.32801 0.67173 0.99978 1.00000
Sb2 Sb 0.67199 0.32827 0.00022 1.00000
O1 O 0.87535 0.23385 0.79048 1.00000
O2 O 0.76678 0.12366 0.20929 1.00000
O3 O 0.52297 0.52245 0.22307 1.00000
O4 O 0.47702 0.47755 0.77693 1.00000
O5 O 0.23322 0.87634 0.79071 1.00000
O6 O 0.12465 0.76615 0.20952 1.00000
Cu1 Cu 0.82433 0.82608 0.59199 1.00000
Cu2 Cu 0.17567 0.17393 0.40801 1.00000
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