Pu2ZnH7
Alexandria ALEXAlex-ID: agm006202097 · 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
AB2C7_782_spg2
ZnH2 Zn PuH3
2024-02-01 15:41:18
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006202097).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm006202097
data_agm006202097
_cell_length_a 4.95377
_cell_length_b 4.95542
_cell_length_c 5.82131
_cell_angle_alpha 96.84728
_cell_angle_beta 80.55352
_cell_angle_gamma 120.41901
_cell_volume 121.44977
_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
H1 H 0.12982 0.73171 0.15602 1.00000
H2 H 0.81789 0.98068 0.83734 1.00000
H3 H 0.36390 0.52863 0.83707 1.00000
H4 H 0.12281 0.18951 0.16856 1.00000
H5 H 0.46853 0.85282 0.49635 1.00000
H6 H 0.58381 0.18329 0.15703 1.00000
H7 H 0.82439 0.52225 0.82519 1.00000
Pu1 Pu 0.33516 0.01256 0.82469 1.00000
Pu2 Pu 0.61235 0.69980 0.16896 1.00000
Zn1 Zn 0.97372 0.35613 0.99697 1.00000
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