PuSn2
Alexandria ALEXAlex-ID: agm002189271 · Space group: I4_1/amd (#141)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_39_spg141
PuSn2
2018-09-11 15:46:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002189271).
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 agm002189271
data_agm002189271
_cell_length_a 4.50047
_cell_length_b 4.50047
_cell_length_c 15.83581
_cell_angle_alpha 98.21358
_cell_angle_beta 98.21358
_cell_angle_gamma 89.97745
_cell_volume 314.13021
_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
Sn1 Sn 0.78655 0.03567 0.07152 1.00000
Sn2 Sn 0.53567 0.28655 0.57152 1.00000
Sn3 Sn 0.21345 0.96433 0.92848 1.00000
Sn4 Sn 0.46433 0.71345 0.42848 1.00000
Sn5 Sn 0.12344 0.37656 0.75000 1.00000
Sn6 Sn 0.87656 0.62344 0.25000 1.00000
Sn7 Sn 0.37612 0.12388 0.25000 1.00000
Sn8 Sn 0.62388 0.87612 0.75000 1.00000
Pu1 Pu 0.95567 0.20475 0.41125 1.00000
Pu2 Pu 0.70475 0.45567 0.91125 1.00000
Pu3 Pu 0.04433 0.79525 0.58875 1.00000
Pu4 Pu 0.29525 0.54433 0.08875 1.00000
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