Sm2Pu3N4
Alexandria ALEXAlex-ID: agm005690564 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_761_spg12
SmPu2N3 Sm3PuN4 Pu
2023-06-27 19:41:20.743545
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690564).
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 agm005690564
data_agm005690564
_cell_length_a 3.52975
_cell_length_b 6.13810
_cell_length_c 7.87633
_cell_angle_alpha 75.52293
_cell_angle_beta 77.05160
_cell_angle_gamma 73.28997
_cell_volume 156.10691
_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
Sm1 Sm 0.60505 0.17828 0.61161 1.00000
Sm2 Sm 0.39495 0.82172 0.38839 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
Pu2 Pu 0.20339 0.40092 0.19230 1.00000
Pu3 Pu 0.79661 0.59908 0.80770 1.00000
N1 N 0.79848 0.10782 0.29523 1.00000
N2 N 0.20152 0.89218 0.70477 1.00000
N3 N 0.39155 0.30070 0.91619 1.00000
N4 N 0.60845 0.69930 0.08381 1.00000
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