Pu3U5Ta
Alexandria ALEXAlex-ID: agm072159059 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1076_spg8
Pu U Ta
2024-09-25 02:02:27.540732
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072159059).
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 agm072159059
data_agm072159059
_cell_length_a 5.20721
_cell_length_b 5.20747
_cell_length_c 9.03316
_cell_angle_alpha 100.65277
_cell_angle_beta 92.02459
_cell_angle_gamma 128.17932
_cell_volume 185.64771
_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 0.02892 0.54777 0.46601 1.00000
Pu2 Pu 0.59182 0.07144 0.55248 1.00000
Pu3 Pu 0.21250 0.23702 0.33850 1.00000
U1 U 0.87344 0.86195 0.62427 1.00000
U2 U 0.45073 0.80482 0.14420 1.00000
U3 U 0.65180 0.28491 0.82546 1.00000
U4 U 0.81878 0.49496 0.20245 1.00000
U5 U 0.32219 0.64315 0.85414 1.00000
Ta1 Ta 0.04982 0.05397 0.99249 1.00000
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