PuNpVN3
Alexandria ALEXAlex-ID: agm047375672 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD3_1_spg11
NpVN2 PuN
2024-09-14 04:37:01.820684
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm047375672).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm047375672
data_agm047375672
_cell_length_a 3.25748
_cell_length_b 5.62660
_cell_length_c 8.44532
_cell_angle_alpha 76.74028
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 150.66347
_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 0.25000 0.64087 0.82027 1.00000
Pu2 Pu 0.75000 0.35913 0.17973 1.00000
Np1 Np 0.75000 0.76630 0.44458 1.00000
Np2 Np 0.25000 0.23370 0.55542 1.00000
V1 V 0.75000 0.11783 0.87875 1.00000
V2 V 0.25000 0.88217 0.12125 1.00000
N1 N 0.75000 0.76450 0.01013 1.00000
N2 N 0.25000 0.04847 0.32595 1.00000
N3 N 0.25000 0.56375 0.31622 1.00000
N4 N 0.25000 0.23550 0.98987 1.00000
N5 N 0.75000 0.43625 0.68378 1.00000
N6 N 0.75000 0.95153 0.67405 1.00000
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