Pu3Np5B
Alexandria ALEXAlex-ID: agm072531258 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1339_spg8
Pu Np PuB4
2024-09-23 21:38:16.146804
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072531258).
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 agm072531258
data_agm072531258
_cell_length_a 3.38832
_cell_length_b 5.59139
_cell_length_c 9.32928
_cell_angle_alpha 80.91511
_cell_angle_beta 94.36881
_cell_angle_gamma 72.36826
_cell_volume 164.88045
_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 0.36922 0.01061 0.44840 1.00000
Pu2 Pu 0.39466 0.57063 0.53643 1.00000
Pu3 Pu 0.91718 0.45532 0.38152 1.00000
Np1 Np 0.18505 0.05610 0.69475 1.00000
Np2 Np 0.68556 0.69908 0.87738 1.00000
Np3 Np 0.55196 0.18434 0.12366 1.00000
Np4 Np 0.34796 0.37244 0.83692 1.00000
Np5 Np 0.47957 0.63638 0.14657 1.00000
B1 B 0.06883 0.01510 0.95436 1.00000
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