K2RbH7
Alexandria ALEXAlex-ID: agm006201769 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_1035_spg12
RbH7 RbH KH
2024-02-01 10:07:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201769).
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 agm006201769
data_agm006201769
_cell_length_a 7.46530
_cell_length_b 7.64478
_cell_length_c 4.70393
_cell_angle_alpha 101.21668
_cell_angle_beta 81.55879
_cell_angle_gamma 136.58242
_cell_volume 180.98221
_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
H1 H 0.10641 0.68926 0.11611 1.00000
H2 H 0.84194 0.02399 0.97998 1.00000
H3 H 0.72207 0.96592 0.90178 1.00000
H4 H 0.17451 0.15563 0.31472 1.00000
H5 H 0.47293 0.85542 0.54644 1.00000
H6 H 0.22572 0.74623 0.19455 1.00000
H7 H 0.77048 0.55497 0.77569 1.00000
K1 K 0.27851 0.05227 0.76034 1.00000
K2 K 0.66667 0.65809 0.33017 1.00000
Rb1 Rb 0.97314 0.35559 0.54837 1.00000
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