SrU2Pa2N7
Alexandria ALEXAlex-ID: agm004589129 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D7_10_spg44
SrU2N4 Sr2UN3 U(PaN2)6 UN
2022-06-26 01:55:33.004535
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004589129).
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 agm004589129
data_agm004589129
_cell_length_a 4.71702
_cell_length_b 4.73046
_cell_length_c 9.87753
_cell_angle_alpha 103.85441
_cell_angle_beta 103.81428
_cell_angle_gamma 90.00000
_cell_volume 207.41973
_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
Sr1 Sr 1.00000 0.09646 1.00000 1.00000
U1 U 0.38977 0.39447 0.77955 1.00000
U2 U 0.61023 0.61493 0.22045 1.00000
Pa1 Pa 0.24957 0.75226 0.49914 1.00000
Pa2 Pa 0.75043 0.25312 0.50086 1.00000
N1 N 0.36714 0.85914 0.73427 1.00000
N2 N 0.72625 0.73068 0.45251 1.00000
N3 N 0.12947 0.61683 0.25894 1.00000
N4 N 0.63286 0.12487 0.26573 1.00000
N5 N 0.27375 0.27818 0.54749 1.00000
N6 N 0.87053 0.35789 0.74106 1.00000
N7 N 0.50000 0.42083 1.00000 1.00000
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