Pu15Pt32
Alexandria ALEXAlex-ID: agm007755985 · 空间群: F-43m (#216)
基础信息
组成
能量与稳定性
电子结构
其他信息
A15B32_1_spg216
PuPt3 PuPt2
2025-01-29 07:13:45
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007755985).
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 agm007755985
data_agm007755985
_cell_length_a 10.88369
_cell_length_b 10.88369
_cell_length_c 10.88369
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 911.61825
_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 0.00000 0.00000 0.00000 1.00000
Pu2 Pu 0.38464 0.38464 0.84608 1.00000
Pu3 Pu 0.38464 0.38464 0.38464 1.00000
Pu4 Pu 0.84608 0.38464 0.38464 1.00000
Pu5 Pu 0.38464 0.84608 0.38464 1.00000
Pu6 Pu 0.87442 0.87442 0.37675 1.00000
Pu7 Pu 0.87442 0.87442 0.87442 1.00000
Pu8 Pu 0.37675 0.87442 0.87442 1.00000
Pu9 Pu 0.87442 0.37675 0.87442 1.00000
Pu10 Pu 0.49589 0.00411 0.00411 1.00000
Pu11 Pu 0.00411 0.49589 0.00411 1.00000
Pu12 Pu 0.49589 0.49589 0.00411 1.00000
Pu13 Pu 0.00411 0.49589 0.49589 1.00000
Pu14 Pu 0.49589 0.00411 0.49589 1.00000
Pu15 Pu 0.00411 0.00411 0.49589 1.00000
Pt1 Pt 0.18787 0.18787 0.43638 1.00000
Pt2 Pt 0.18787 0.18787 0.18787 1.00000
Pt3 Pt 0.43638 0.18787 0.18787 1.00000
Pt4 Pt 0.18787 0.43638 0.18787 1.00000
Pt5 Pt 0.68771 0.68771 0.93688 1.00000
Pt6 Pt 0.68771 0.68771 0.68771 1.00000
Pt7 Pt 0.93688 0.68771 0.68771 1.00000
Pt8 Pt 0.68771 0.93688 0.68771 1.00000
Pt9 Pt 0.68879 0.68879 0.43828 1.00000
Pt10 Pt 0.68879 0.18414 0.43828 1.00000
Pt11 Pt 0.18414 0.68879 0.43828 1.00000
Pt12 Pt 0.68879 0.68879 0.18414 1.00000
Pt13 Pt 0.18414 0.68879 0.68879 1.00000
Pt14 Pt 0.68879 0.18414 0.68879 1.00000
Pt15 Pt 0.43828 0.18414 0.68879 1.00000
Pt16 Pt 0.43828 0.68879 0.68879 1.00000
Pt17 Pt 0.43828 0.68879 0.18414 1.00000
Pt18 Pt 0.18414 0.43828 0.68879 1.00000
Pt19 Pt 0.68879 0.43828 0.18414 1.00000
Pt20 Pt 0.68879 0.43828 0.68879 1.00000
Pt21 Pt 0.18777 0.18777 0.93759 1.00000
Pt22 Pt 0.18777 0.68686 0.93759 1.00000
Pt23 Pt 0.68686 0.18777 0.93759 1.00000
Pt24 Pt 0.18777 0.18777 0.68686 1.00000
Pt25 Pt 0.68686 0.18777 0.18777 1.00000
Pt26 Pt 0.18777 0.68686 0.18777 1.00000
Pt27 Pt 0.93759 0.68686 0.18777 1.00000
Pt28 Pt 0.93759 0.18777 0.18777 1.00000
Pt29 Pt 0.93759 0.18777 0.68686 1.00000
Pt30 Pt 0.68686 0.93759 0.18777 1.00000
Pt31 Pt 0.18777 0.93759 0.68686 1.00000
Pt32 Pt 0.18777 0.93759 0.18777 1.00000
