Pu6PaSn5
Alexandria ALEXAlex-ID: agm006132887 · 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
AB5C6_84_spg12
Pa7Sn Pu2Sn PuSn
2023-09-09 00:28:56.507519
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006132887).
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 agm006132887
data_agm006132887
_cell_length_a 5.65449
_cell_length_b 6.71449
_cell_length_c 8.76232
_cell_angle_alpha 66.39613
_cell_angle_beta 88.03498
_cell_angle_gamma 89.16434
_cell_volume 304.66633
_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
Pa1 Pa 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.66358 0.16764 0.66873 1.00000
Sn2 Sn 0.34463 0.33710 0.33585 1.00000
Sn3 Sn 0.00000 0.50000 0.00000 1.00000
Sn4 Sn 0.65537 0.66290 0.66415 1.00000
Sn5 Sn 0.33642 0.83236 0.33127 1.00000
Pu1 Pu 0.84710 0.59462 0.32508 1.00000
Pu2 Pu 0.84654 0.08508 0.33851 1.00000
Pu3 Pu 0.48868 0.75569 0.99461 1.00000
Pu4 Pu 0.51132 0.24431 0.00539 1.00000
Pu5 Pu 0.15346 0.91492 0.66149 1.00000
Pu6 Pu 0.15290 0.40538 0.67492 1.00000
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