Pu(US3)2
Alexandria ALEXAlex-ID: agm097221002 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_3936_spg12
Pu2US5 PuU3S8 Pu(US4)3
2025-04-07 08:49:56
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097221002).
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}
}
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# CIF generated by HEAS from Alexandria entry agm097221002
data_agm097221002
_cell_length_a 5.31898
_cell_length_b 5.31681
_cell_length_c 8.52276
_cell_angle_alpha 80.73963
_cell_angle_beta 80.79009
_cell_angle_gamma 81.36275
_cell_volume 232.89303
_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 0.64406 0.35555 0.75025 1.00000
U1 U 0.05130 0.33687 0.12865 1.00000
U2 U 0.66368 0.94844 0.37140 1.00000
S1 S 0.55380 0.31351 0.08625 1.00000
S2 S 0.68901 0.44549 0.41423 1.00000
S3 S 0.12394 0.38211 0.81684 1.00000
S4 S 0.98927 0.83376 0.10129 1.00000
S5 S 0.61771 0.87587 0.68322 1.00000
S6 S 0.16724 0.00840 0.39788 1.00000
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