PuPaSn
Alexandria ALEXAlex-ID: agm005642475 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_132_spg40
Pa7Sn Pu2Sn PuSn
2023-06-18 13:05:57.515227
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005642475).
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 agm005642475
data_agm005642475
_cell_length_a 5.33155
_cell_length_b 5.44239
_cell_length_c 5.91576
_cell_angle_alpha 89.99277
_cell_angle_beta 58.79817
_cell_angle_gamma 89.97424
_cell_volume 146.82368
_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 0.25662 0.75306 0.55201 1.00000
Pu2 Pu 0.69814 0.25298 0.50374 1.00000
Pa1 Pa 0.09824 0.25732 0.81603 1.00000
Pa2 Pa 0.85651 0.75738 0.23974 1.00000
Sn1 Sn 0.38417 0.25228 0.18053 1.00000
Sn2 Sn 0.57056 0.75227 0.87523 1.00000
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