K6Rb2Pb
Alexandria ALEXAlex-ID: agm005652956 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2751_spg15
K Rb KPb
2023-07-08 09:33:14.786121
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652956).
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 agm005652956
data_agm005652956
_cell_length_a 10.93327
_cell_length_b 10.93327
_cell_length_c 11.48026
_cell_angle_alpha 87.13187
_cell_angle_beta 87.13187
_cell_angle_gamma 113.41331
_cell_volume 1254.07417
_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 0.70052 0.75096 0.20870 1.00000
K2 K 0.24904 0.29948 0.29130 1.00000
K3 K 0.29948 0.24904 0.79130 1.00000
K4 K 0.75096 0.70052 0.70870 1.00000
K5 K 0.01791 0.60633 0.29833 1.00000
K6 K 0.39367 0.98209 0.20167 1.00000
K7 K 0.98209 0.39367 0.70167 1.00000
K8 K 0.60633 0.01791 0.79833 1.00000
K9 K 0.14890 0.93792 0.54957 1.00000
K10 K 0.06208 0.85110 0.95043 1.00000
K11 K 0.85110 0.06208 0.45043 1.00000
K12 K 0.93792 0.14890 0.04957 1.00000
Rb1 Rb 0.32531 0.60980 0.97585 1.00000
Rb2 Rb 0.39020 0.67469 0.52415 1.00000
Rb3 Rb 0.67469 0.39020 0.02415 1.00000
Rb4 Rb 0.60980 0.32531 0.47585 1.00000
Pb1 Pb 0.05200 0.94800 0.25000 1.00000
Pb2 Pb 0.94800 0.05200 0.75000 1.00000
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