K2Zr(SbO3)2
Alexandria ALEXAlex-ID: agm004577321 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_301_spg147
KSbO2 ZrO2
2022-06-24 16:47:26.810815
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004577321).
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 agm004577321
data_agm004577321
_cell_length_a 5.94296
_cell_length_b 5.94547
_cell_length_c 7.33347
_cell_angle_alpha 93.90415
_cell_angle_beta 90.00000
_cell_angle_gamma 119.98602
_cell_volume 223.74054
_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 0.82430 0.64861 0.33902 1.00000
K2 K 0.17570 0.35139 0.66098 1.00000
Zr1 Zr 0.50000 0.00000 0.50000 1.00000
Sb1 Sb 0.85019 0.70038 0.80184 1.00000
Sb2 Sb 0.14981 0.29962 0.19816 1.00000
O1 O 0.67975 0.35951 0.66178 1.00000
O2 O 0.31974 0.14946 0.33469 1.00000
O3 O 0.17028 0.85054 0.66531 1.00000
O4 O 0.68026 0.85054 0.66531 1.00000
O5 O 0.82972 0.14946 0.33469 1.00000
O6 O 0.32025 0.64049 0.33822 1.00000
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