KRb3O8
Alexandria ALEXAlex-ID: agm005962764 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8_395_spg121
KRbO4 RbO4 Rb2O3
2023-09-08 15:40:04.779404
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005962764).
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 agm005962764
data_agm005962764
_cell_length_a 7.00834
_cell_length_b 7.01392
_cell_length_c 7.01949
_cell_angle_alpha 66.58016
_cell_angle_beta 78.11044
_cell_angle_gamma 113.36006
_cell_volume 262.19622
_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 0.99979 0.00000 0.99976 1.00000
Rb1 Rb 0.74997 0.50016 0.74990 1.00000
Rb2 Rb 0.24982 0.49984 0.25006 1.00000
Rb3 Rb 0.50008 1.00000 0.50009 1.00000
O1 O 0.07922 1.00000 0.59276 1.00000
O2 O 0.59239 0.67161 0.40751 1.00000
O3 O 0.92078 0.32839 0.07912 1.00000
O4 O 0.40796 1.00000 0.92082 1.00000
O5 O 0.88160 0.00000 0.64326 1.00000
O6 O 0.64332 0.52494 0.35692 1.00000
O7 O 0.11838 0.47506 0.88187 1.00000
O8 O 0.35688 0.00000 0.11807 1.00000
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