Re3Pb2
Alexandria ALEXAlex-ID: agm005506543 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_906_spg43
Pb Re
2023-03-20 13:20:21.275854
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005506543).
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 agm005506543
data_agm005506543
_cell_length_a 9.41041
_cell_length_b 8.85951
_cell_length_c 5.20251
_cell_angle_alpha 79.37228
_cell_angle_beta 67.71486
_cell_angle_gamma 32.91286
_cell_volume 210.19715
_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
Re1 Re 0.41247 0.82548 0.53010 1.00000
Re2 Re 0.23195 0.53010 0.82548 1.00000
Re3 Re 0.42452 0.83753 0.01805 1.00000
Re4 Re 0.71990 0.01805 0.83753 1.00000
Re5 Re 0.08348 0.91652 0.91652 1.00000
Re6 Re 0.33348 0.16652 0.16652 1.00000
Pb1 Pb 0.84897 0.23687 0.49102 1.00000
Pb2 Pb 0.42314 0.49102 0.23687 1.00000
Pb3 Pb 0.01313 0.40103 0.82686 1.00000
Pb4 Pb 0.75898 0.82686 0.40103 1.00000
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