Rb(Pb3Au)2
Alexandria ALEXAlex-ID: agm097633432 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1490_spg146
RbPb2Au Pb2Au Pb
2025-04-08 15:34:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097633432).
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 agm097633432
data_agm097633432
_cell_length_a 6.06164
_cell_length_b 6.05918
_cell_length_c 8.96317
_cell_angle_alpha 94.56184
_cell_angle_beta 101.26365
_cell_angle_gamma 103.68752
_cell_volume 310.95090
_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 0.82960 0.80470 0.98720 1.00000
Pb1 Pb 0.33284 0.37124 0.16480 1.00000
Pb2 Pb 0.50326 0.47591 0.54948 1.00000
Pb3 Pb 0.36953 0.97423 0.68517 1.00000
Pb4 Pb 0.51712 0.93039 0.32120 1.00000
Pb5 Pb 0.04928 0.41629 0.70863 1.00000
Pb6 Pb 0.94504 0.52734 0.35081 1.00000
Au1 Au 0.85940 0.92274 0.61112 1.00000
Au2 Au 0.09393 0.07715 0.37159 1.00000
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