Pu4U2Ga3
Alexandria ALEXAlex-ID: agm005645238 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_422_spg15
PuUGa Pu PuGa
2023-06-27 04:43:40.042043
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005645238).
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 agm005645238
data_agm005645238
_cell_length_a 5.34877
_cell_length_b 8.60220
_cell_length_c 8.60222
_cell_angle_alpha 74.96703
_cell_angle_beta 85.05940
_cell_angle_gamma 85.05986
_cell_volume 379.99562
_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 0.52329 0.06087 0.81410 1.00000
Pu2 Pu 0.97671 0.18590 0.93913 1.00000
Pu3 Pu 0.47671 0.93913 0.18590 1.00000
Pu4 Pu 0.02329 0.81410 0.06087 1.00000
Pu5 Pu 0.22761 0.73059 0.50776 1.00000
Pu6 Pu 0.27239 0.49224 0.26941 1.00000
Pu7 Pu 0.77239 0.26941 0.49224 1.00000
Pu8 Pu 0.72761 0.50776 0.73059 1.00000
U1 U 0.60085 0.82155 0.60900 1.00000
U2 U 0.89915 0.39100 0.17845 1.00000
U3 U 0.39915 0.17845 0.39100 1.00000
U4 U 0.10085 0.60900 0.82155 1.00000
Ga1 Ga 0.05991 0.97651 0.68860 1.00000
Ga2 Ga 0.44009 0.31140 0.02349 1.00000
Ga3 Ga 0.94009 0.02349 0.31140 1.00000
Ga4 Ga 0.55991 0.68860 0.97651 1.00000
Ga5 Ga 0.25000 0.37145 0.62855 1.00000
Ga6 Ga 0.75000 0.62855 0.37145 1.00000
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