K6Rb
Alexandria ALEXAlex-ID: agm012828632 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6_104_spg166
Rb K
2024-12-08 14:00:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012828632).
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 agm012828632
data_agm012828632
_cell_length_a 10.49257
_cell_length_b 10.57887
_cell_length_c 10.58028
_cell_angle_alpha 72.63614
_cell_angle_beta 72.93508
_cell_angle_gamma 72.69258
_cell_volume 1042.79280
_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 0.11148 0.96297 0.68074 1.00000
K2 K 0.96266 0.68239 0.11019 1.00000
K3 K 0.68144 0.11016 0.96245 1.00000
K4 K 0.31856 0.88984 0.03755 1.00000
K5 K 0.03734 0.31761 0.88981 1.00000
K6 K 0.88852 0.03703 0.31926 1.00000
K7 K 0.46323 0.18227 0.61012 1.00000
K8 K 0.61178 0.46375 0.18017 1.00000
K9 K 0.18108 0.61050 0.46280 1.00000
K10 K 0.81892 0.38950 0.53720 1.00000
K11 K 0.38822 0.53625 0.81983 1.00000
K12 K 0.53677 0.81773 0.38988 1.00000
Rb1 Rb 0.74952 0.74976 0.74961 1.00000
Rb2 Rb 0.25048 0.25024 0.25039 1.00000
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