Pu2H2N5
Alexandria ALEXAlex-ID: agm007144685 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_129_spg46
Pu2N3 H3N N2
2024-01-27 13:08:11.975739
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007144685).
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 agm007144685
data_agm007144685
_cell_length_a 8.41154
_cell_length_b 8.41154
_cell_length_c 5.38590
_cell_angle_alpha 71.43160
_cell_angle_beta 71.43160
_cell_angle_gamma 124.25522
_cell_volume 230.60777
_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 0.28766 0.02578 0.58600 1.00000
Pu2 Pu 0.53474 0.80004 0.58017 1.00000
Pu3 Pu 0.80004 0.53474 0.58017 1.00000
Pu4 Pu 0.02578 0.28766 0.58600 1.00000
H1 H 0.08962 0.52138 0.00889 1.00000
H2 H 0.52138 0.08962 0.00889 1.00000
H3 H 0.60345 0.60345 0.00817 1.00000
H4 H 0.10320 0.10320 0.27032 1.00000
N1 N 0.75838 0.11311 0.59076 1.00000
N2 N 0.61870 0.22232 0.03546 1.00000
N3 N 0.22232 0.61870 0.03546 1.00000
N4 N 0.11311 0.75838 0.59076 1.00000
N5 N 0.99306 0.80226 0.13605 1.00000
N6 N 0.29263 0.50385 0.55517 1.00000
N7 N 0.50385 0.29263 0.55517 1.00000
N8 N 0.80226 0.99306 0.13605 1.00000
N9 N 0.12765 0.12765 0.43603 1.00000
N10 N 0.61455 0.61455 0.80526 1.00000
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