Ce3Pu2N4
Alexandria ALEXAlex-ID: agm005690734 · 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
Ce2PuN3 Pu CeN
2023-06-27 19:46:30.372692
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690734).
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 agm005690734
data_agm005690734
_cell_length_a 3.51839
_cell_length_b 6.14367
_cell_length_c 7.89243
_cell_angle_alpha 75.60400
_cell_angle_beta 77.12078
_cell_angle_gamma 73.36086
_cell_volume 156.19550
_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
Ce1 Ce 0.00000 0.00000 0.00000 1.00000
Ce2 Ce 0.20252 0.39668 0.19828 1.00000
Ce3 Ce 0.79748 0.60332 0.80172 1.00000
Pu1 Pu 0.60205 0.18892 0.60698 1.00000
Pu2 Pu 0.39795 0.81108 0.39302 1.00000
N1 N 0.80323 0.07749 0.31606 1.00000
N2 N 0.19677 0.92251 0.68394 1.00000
N3 N 0.39278 0.30867 0.90578 1.00000
N4 N 0.60722 0.69133 0.09422 1.00000
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