K8Rb3Pb2
Alexandria ALEXAlex-ID: agm005644443 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_223_spg10
K Rb KPb
2023-06-15 23:04:03.124936
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644443).
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 agm005644443
data_agm005644443
_cell_length_a 6.46245
_cell_length_b 9.59255
_cell_length_c 13.50656
_cell_angle_alpha 78.15867
_cell_angle_beta 89.99972
_cell_angle_gamma 90.00020
_cell_volume 819.47320
_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 0.00000 0.34537 0.41255 1.00000
K2 K 1.00000 0.65463 0.58745 1.00000
K3 K 0.00000 0.80260 0.28455 1.00000
K4 K 1.00000 0.19740 0.71545 1.00000
K5 K 0.50000 0.94063 0.64666 1.00000
K6 K 0.50000 0.46730 0.78166 1.00000
K7 K 0.50000 0.53270 0.21834 1.00000
K8 K 0.50000 0.05937 0.35334 1.00000
Rb1 Rb 0.50000 0.00000 0.00000 1.00000
Rb2 Rb 0.00000 0.27683 0.07908 1.00000
Rb3 Rb 1.00000 0.72317 0.92092 1.00000
Pb1 Pb 0.50000 0.66364 0.45682 1.00000
Pb2 Pb 0.50000 0.33636 0.54318 1.00000
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