Pu3Pa5Tc
Alexandria ALEXAlex-ID: agm072174353 · 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_1225_spg8
Pa3Tc Pu Pa
2024-09-25 02:17:47.621444
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072174353).
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 agm072174353
data_agm072174353
_cell_length_a 3.68576
_cell_length_b 7.49423
_cell_length_c 7.65510
_cell_angle_alpha 99.66621
_cell_angle_beta 90.96209
_cell_angle_gamma 103.51797
_cell_volume 202.32555
_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 0.58780 0.09090 0.54363 1.00000
Pu2 Pu 0.35073 0.37910 0.50158 1.00000
Pu3 Pu 0.03500 0.93544 0.21834 1.00000
Pa1 Pa 0.96083 0.73527 0.52565 1.00000
Pa2 Pa 0.79853 0.48410 0.83571 1.00000
Pa3 Pa 0.39564 0.60841 0.18540 1.00000
Pa4 Pa 0.48227 0.86404 0.87261 1.00000
Pa5 Pa 0.70758 0.25929 0.18163 1.00000
Tc1 Tc 0.11607 0.17441 0.87412 1.00000
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