Rb5InPb6
Alexandria ALEXAlex-ID: agm006136167 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_54_spg12
RbInPb Rb4Pb9 RbPb
2023-09-04 04:25:46.616166
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136167).
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 agm006136167
data_agm006136167
_cell_length_a 10.53715
_cell_length_b 8.10797
_cell_length_c 8.00672
_cell_angle_alpha 59.58088
_cell_angle_beta 83.52328
_cell_angle_gamma 77.12793
_cell_volume 575.06619
_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
Pb1 Pb 0.75560 0.85685 0.00000 1.00000
Pb2 Pb 0.77007 0.07566 0.23012 1.00000
Pb3 Pb 0.22993 0.69422 0.23012 1.00000
Pb4 Pb 0.22993 0.92434 0.76988 1.00000
Pb5 Pb 0.77007 0.30578 0.76988 1.00000
Pb6 Pb 0.24440 0.14315 1.00000 1.00000
Rb1 Rb 0.50000 0.20061 0.59878 1.00000
Rb2 Rb 0.00000 0.66395 0.67209 1.00000
Rb3 Rb 1.00000 0.33605 0.32791 1.00000
Rb4 Rb 0.50000 0.50000 0.00000 1.00000
Rb5 Rb 0.50000 0.79939 0.40122 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
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