Pu4Pa2Pt5
Alexandria ALEXAlex-ID: agm005671753 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C5_653_spg55
PuPaPt2 Pu4Pt3 Pu
2023-06-23 04:08:16.775569
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005671753).
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 agm005671753
data_agm005671753
_cell_length_a 3.43159
_cell_length_b 7.80431
_cell_length_c 17.83252
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 477.57562
_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 0.50000 0.27890 0.93697 1.00000
Pu2 Pu 0.50000 0.72110 0.06303 1.00000
Pu3 Pu 0.50000 0.22110 0.43697 1.00000
Pu4 Pu 0.50000 0.77890 0.56303 1.00000
Pu5 Pu 0.50000 0.39600 0.63696 1.00000
Pu6 Pu 0.50000 0.60400 0.36304 1.00000
Pu7 Pu 0.50000 0.10400 0.13696 1.00000
Pu8 Pu 0.50000 0.89600 0.86304 1.00000
Pa1 Pa 0.50000 0.01289 0.69318 1.00000
Pa2 Pa 0.50000 0.98711 0.30682 1.00000
Pa3 Pa 0.50000 0.48711 0.19318 1.00000
Pa4 Pa 0.50000 0.51289 0.80682 1.00000
Pt1 Pt 0.00000 0.11164 0.56732 1.00000
Pt2 Pt 0.00000 0.88836 0.43268 1.00000
Pt3 Pt 0.00000 0.38836 0.06732 1.00000
Pt4 Pt 0.00000 0.61164 0.93268 1.00000
Pt5 Pt 0.00000 0.21398 0.78664 1.00000
Pt6 Pt 0.00000 0.78602 0.21336 1.00000
Pt7 Pt 0.00000 0.28602 0.28664 1.00000
Pt8 Pt 0.00000 0.71398 0.71336 1.00000
Pt9 Pt 0.00000 0.00000 0.00000 1.00000
Pt10 Pt 0.00000 0.50000 0.50000 1.00000
