K3Rb2O3
Alexandria ALEXAlex-ID: agm005572972 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_2_spg8
KRbO2 Rb2O K2O
2023-06-06 01:55:36.651273
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005572972).
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 agm005572972
data_agm005572972
_cell_length_a 5.24895
_cell_length_b 7.28985
_cell_length_c 13.47016
_cell_angle_alpha 90.53261
_cell_angle_beta 90.00000
_cell_angle_gamma 111.10128
_cell_volume 480.83714
_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 0.70377 0.40753 0.57313 1.00000
K2 K 0.76173 0.52346 0.25052 1.00000
K3 K 0.94429 0.88857 0.89170 1.00000
K4 K 0.23240 0.46481 0.74824 1.00000
K5 K 0.04927 0.09855 0.11359 1.00000
K6 K 0.04786 0.09572 0.38645 1.00000
Rb1 Rb 0.69116 0.38233 0.92143 1.00000
Rb2 Rb 0.95683 0.91366 0.62222 1.00000
Rb3 Rb 0.30214 0.60428 0.42272 1.00000
Rb4 Rb 0.30279 0.60557 0.07797 1.00000
O1 O 0.80897 0.61794 0.74886 1.00000
O2 O 0.86149 0.72299 0.06858 1.00000
O3 O 0.85934 0.71867 0.43543 1.00000
O4 O 0.18332 0.36664 0.24991 1.00000
O5 O 0.13413 0.26826 0.93092 1.00000
O6 O 0.14053 0.28105 0.56265 1.00000
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