Rb8C4O7
Alexandria ALEXAlex-ID: agm005221014 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B7C8_18_spg6
RbC8 Rb2CO3 Rb
2024-11-12 02:46:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005221014).
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 agm005221014
data_agm005221014
_cell_length_a 13.52747
_cell_length_b 4.55592
_cell_length_c 9.07590
_cell_angle_alpha 66.53114
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 513.07759
_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
Rb1 Rb 0.00000 0.59036 0.34305 1.00000
Rb2 Rb 0.50000 0.33093 0.58559 1.00000
Rb3 Rb 0.13418 0.23787 0.86836 1.00000
Rb4 Rb 0.86582 0.23787 0.86836 1.00000
Rb5 Rb 0.64452 0.93611 0.04914 1.00000
Rb6 Rb 0.35548 0.93611 0.04914 1.00000
Rb7 Rb 0.26530 0.92036 0.59080 1.00000
Rb8 Rb 0.73470 0.92036 0.59080 1.00000
C1 C 0.79624 0.33694 0.20484 1.00000
C2 C 0.20376 0.33694 0.20484 1.00000
C3 C 0.50000 0.59218 0.83084 1.00000
C4 C 0.00000 0.88609 0.68871 1.00000
O1 O 0.85274 0.11497 0.29382 1.00000
O2 O 0.14726 0.11497 0.29382 1.00000
O3 O 0.50000 0.49029 0.97270 1.00000
O4 O 0.32979 0.30188 0.74741 1.00000
O5 O 0.67021 0.30188 0.74741 1.00000
O6 O 0.17683 0.58144 0.08119 1.00000
O7 O 0.82317 0.58144 0.08119 1.00000
Get direct link