La3(PuNp)4
Alexandria ALEXAlex-ID: agm009753333 · 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
A3B4C4_203_spg2
La Pu Np
2024-07-18 21:43:23.318684
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009753333).
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 agm009753333
data_agm009753333
_cell_length_a 3.45928
_cell_length_b 6.85191
_cell_length_c 11.53361
_cell_angle_alpha 83.58842
_cell_angle_beta 79.14139
_cell_angle_gamma 78.61648
_cell_volume 262.41218
_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
La1 La 0.61897 0.08218 0.27665 1.00000
La2 La 0.47151 0.91784 0.72336 1.00000
La3 La 0.54647 0.99982 0.00004 1.00000
Pu1 Pu 0.43032 0.64351 0.21714 1.00000
Pu2 Pu 0.10029 0.23776 0.50924 1.00000
Pu3 Pu 0.99007 0.76242 0.49073 1.00000
Pu4 Pu 0.66048 0.35637 0.78281 1.00000
Np1 Np 0.77919 0.42905 0.06539 1.00000
Np2 Np 0.31224 0.57078 0.93463 1.00000
Np3 Np 0.19427 0.48180 0.65020 1.00000
Np4 Np 0.89633 0.51831 0.34981 1.00000
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