Rb(Na3Pb)2
Alexandria ALEXAlex-ID: agm005723902 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_2071_spg164
Na15Pb4 Rb RbPb
2023-07-08 20:05:54.139446
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005723902).
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 agm005723902
data_agm005723902
_cell_length_a 5.44048
_cell_length_b 5.69109
_cell_length_c 11.84485
_cell_angle_alpha 65.68289
_cell_angle_beta 76.72317
_cell_angle_gamma 61.44627
_cell_volume 293.30931
_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
Rb1 Rb 0.00000 0.50000 0.50000 1.00000
Na1 Na 0.67163 0.71195 0.94480 1.00000
Na2 Na 0.32837 0.28805 0.05520 1.00000
Na3 Na 0.00375 0.82388 0.16862 1.00000
Na4 Na 0.33659 0.97374 0.35307 1.00000
Na5 Na 0.99625 0.17612 0.83138 1.00000
Na6 Na 0.66341 0.02626 0.64693 1.00000
Pb1 Pb 0.32652 0.59885 0.74811 1.00000
Pb2 Pb 0.67348 0.40115 0.25189 1.00000
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