PuSb3Pb5
Alexandria ALEXAlex-ID: agm072373337 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C5_1363_spg8
PuSb2 Pb Sb
2024-09-24 22:36:38.819333
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072373337).
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 agm072373337
data_agm072373337
_cell_length_a 6.09806
_cell_length_b 6.09256
_cell_length_c 8.75706
_cell_angle_alpha 73.25427
_cell_angle_beta 87.97319
_cell_angle_gamma 63.09450
_cell_volume 276.10261
_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
Pu1 Pu 0.93355 0.27973 0.25365 1.00000
Sb1 Sb 0.11632 0.49354 0.93371 1.00000
Sb2 Sb 0.43565 0.26983 0.29158 1.00000
Sb3 Sb 0.89691 0.81937 0.20294 1.00000
Pb1 Pb 0.83149 0.94442 0.62057 1.00000
Pb2 Pb 0.16859 0.27134 0.62299 1.00000
Pb3 Pb 0.67977 0.31628 0.87392 1.00000
Pb4 Pb 0.39187 0.86001 0.01828 1.00000
Pb5 Pb 0.46756 0.68336 0.46368 1.00000
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