Ce4Pu4Sn3
Alexandria ALEXAlex-ID: agm005695325 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_116_spg2
Pu2Sn Ce6PuSn2
2023-07-02 06:31:33.681576
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695325).
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 agm005695325
data_agm005695325
_cell_length_a 3.37197
_cell_length_b 5.06389
_cell_length_c 16.80936
_cell_angle_alpha 81.25181
_cell_angle_beta 84.63119
_cell_angle_gamma 90.02136
_cell_volume 282.40988
_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
Ce1 Ce 0.54956 0.08683 0.82168 1.00000
Ce2 Ce 0.27655 0.27583 0.44892 1.00000
Ce3 Ce 0.72348 0.72420 0.55108 1.00000
Ce4 Ce 0.45046 0.91319 0.17832 1.00000
Pu1 Pu 0.63379 0.54590 0.90805 1.00000
Pu2 Pu 0.36623 0.45412 0.09195 1.00000
Pu3 Pu 0.30859 0.81910 0.36418 1.00000
Pu4 Pu 0.69144 0.18093 0.63582 1.00000
Sn1 Sn 0.13869 0.63378 0.72882 1.00000
Sn2 Sn 0.86133 0.36625 0.27118 1.00000
Sn3 Sn 0.00001 0.00001 0.00000 1.00000
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