Pu2SnBi5
Alexandria ALEXAlex-ID: agm068902504 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_945_spg12
PuBi2 PuSn3 Bi
2024-09-13 12:39:21.131223
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm068902504).
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 agm068902504
data_agm068902504
_cell_length_a 6.88041
_cell_length_b 6.88041
_cell_length_c 6.88041
_cell_angle_alpha 118.71151
_cell_angle_beta 118.71151
_cell_angle_gamma 92.24661
_cell_volume 234.60899
_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 0.00000 0.50000 0.50000 1.00000
Pu2 Pu 0.50000 0.00000 0.50000 1.00000
Sn1 Sn 0.50000 0.50000 0.00000 1.00000
Bi1 Bi 0.50000 0.00000 0.00000 1.00000
Bi2 Bi 0.50000 0.50000 0.50000 1.00000
Bi3 Bi 0.00000 0.00000 0.50000 1.00000
Bi4 Bi 0.00000 0.50000 0.00000 1.00000
Bi5 Bi 0.00000 0.00000 0.00000 1.00000
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