Pu3Pa6Ru
Alexandria ALEXAlex-ID: agm003577902 · 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
AB3C6_741_spg11
PaRu Pu Pa
2022-04-01 22:05:49.127563
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003577902).
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 agm003577902
data_agm003577902
_cell_length_a 3.56210
_cell_length_b 13.27585
_cell_length_c 11.07858
_cell_angle_alpha 120.01975
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 453.62504
_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 0.75000 0.46431 0.88169 1.00000
Pu2 Pu 0.25000 0.53569 0.11831 1.00000
Pu3 Pu 0.75000 0.70427 0.44167 1.00000
Pu4 Pu 0.25000 0.29573 0.55833 1.00000
Pu5 Pu 0.75000 0.13357 0.10031 1.00000
Pu6 Pu 0.25000 0.86643 0.89969 1.00000
Pa1 Pa 0.75000 0.44689 0.60465 1.00000
Pa2 Pa 0.25000 0.55311 0.39535 1.00000
Pa3 Pa 0.75000 0.94180 0.10672 1.00000
Pa4 Pa 0.25000 0.05820 0.89328 1.00000
Pa5 Pa 0.75000 0.30835 0.06763 1.00000
Pa6 Pa 0.25000 0.69165 0.93237 1.00000
Pa7 Pa 0.75000 0.74233 0.23703 1.00000
Pa8 Pa 0.25000 0.25767 0.76297 1.00000
Pa9 Pa 0.75000 0.11227 0.45955 1.00000
Pa10 Pa 0.25000 0.88773 0.54045 1.00000
Pa11 Pa 0.75000 0.75539 0.70555 1.00000
Pa12 Pa 0.25000 0.24461 0.29445 1.00000
Ru1 Ru 0.75000 0.07350 0.69876 1.00000
Ru2 Ru 0.25000 0.92650 0.30124 1.00000
