K14RbO
Alexandria ALEXAlex-ID: agm005752820 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_10_spg38
K9O2 K Rb
2023-07-19 05:05:28.743811
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005752820).
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 agm005752820
data_agm005752820
_cell_length_a 10.17006
_cell_length_b 10.17006
_cell_length_c 11.14828
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 104.79578
_cell_volume 1114.83585
_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 0.07802 0.92198 1.00000 1.00000
K2 K 0.56371 0.43629 0.00000 1.00000
K3 K 0.22664 0.40289 0.50000 1.00000
K4 K 0.02817 0.36062 0.00000 1.00000
K5 K 0.59711 0.77336 0.50000 1.00000
K6 K 0.63938 0.97183 1.00000 1.00000
K7 K 0.51656 0.18790 0.65609 1.00000
K8 K 0.51656 0.18790 0.34391 1.00000
K9 K 0.81210 0.48344 0.65609 1.00000
K10 K 0.81210 0.48344 0.34391 1.00000
K11 K 0.31942 0.68058 0.79639 1.00000
K12 K 0.31942 0.68058 0.20361 1.00000
K13 K 0.85844 0.14156 0.65748 1.00000
K14 K 0.85844 0.14156 0.34252 1.00000
Rb1 Rb 0.12335 0.87665 0.50000 1.00000
O1 O 0.73058 0.26942 0.50000 1.00000
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