K2Rb3Cl7
Alexandria ALEXAlex-ID: agm101346348 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_3_spg166
RbCl3 RbCl KCl
2025-05-15 21:31:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101346348).
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
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# CIF generated by HEAS from Alexandria entry agm101346348
data_agm101346348
_cell_length_a 8.65255
_cell_length_b 8.29691
_cell_length_c 9.30446
_cell_angle_alpha 68.09725
_cell_angle_beta 58.42191
_cell_angle_gamma 54.27801
_cell_volume 459.80085
_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 0.68116 0.66693 0.09447 1.00000
K2 K 0.31873 0.31862 0.90262 1.00000
Rb1 Rb 0.00399 0.99300 0.99620 1.00000
Rb2 Rb 0.92099 0.78525 0.50256 1.00000
Rb3 Rb 0.06448 0.20935 0.49763 1.00000
Cl1 Cl 0.50248 0.51539 0.50552 1.00000
Cl2 Cl 0.01384 0.58276 0.20145 1.00000
Cl3 Cl 0.22216 0.98404 0.19260 1.00000
Cl4 Cl 0.56353 0.28918 0.36754 1.00000
Cl5 Cl 0.98965 0.40607 0.79266 1.00000
Cl6 Cl 0.44254 0.74540 0.63973 1.00000
Cl7 Cl 0.77645 0.00402 0.80701 1.00000
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