RePb8
Alexandria ALEXAlex-ID: agm005504769 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB8_32_spg139
Pb Re
2023-03-19 14:49:57.590038
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005504769).
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 agm005504769
data_agm005504769
_cell_length_a 7.64310
_cell_length_b 7.64310
_cell_length_c 7.64310
_cell_angle_alpha 95.94144
_cell_angle_beta 95.94144
_cell_angle_gamma 142.46451
_cell_volume 257.56021
_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 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.65365 0.34635 0.00000 1.00000
Pb2 Pb 0.34635 0.65365 0.00000 1.00000
Pb3 Pb 0.00000 0.69355 0.69355 1.00000
Pb4 Pb 0.34635 0.34635 0.69271 1.00000
Pb5 Pb 0.69355 0.00000 0.69355 1.00000
Pb6 Pb 0.65365 0.65365 0.30729 1.00000
Pb7 Pb 0.00000 0.30645 0.30645 1.00000
Pb8 Pb 0.30645 0.00000 0.30645 1.00000
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