Cs4PuO5
Alexandria ALEXAlex-ID: agm063973348 · 空间群: I4/m (#87)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C5_182_spg79
Cs4PuO5
2024-12-05 23:16:51
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm063973348).
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 agm063973348
data_agm063973348
_cell_length_a 8.04459
_cell_length_b 8.04459
_cell_length_c 8.04459
_cell_angle_alpha 94.43525
_cell_angle_beta 94.43525
_cell_angle_gamma 147.70785
_cell_volume 267.15829
_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
Cs1 Cs 0.41127 0.75998 0.17125 1.00000
Cs2 Cs 0.58873 0.24002 0.82875 1.00000
Cs3 Cs 0.75998 0.58873 0.34871 1.00000
Cs4 Cs 0.24002 0.41127 0.65129 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
O1 O 0.16707 0.91751 0.08458 1.00000
O2 O 0.08249 0.16707 0.24957 1.00000
O3 O 0.91751 0.83293 0.75043 1.00000
O4 O 0.83293 0.08249 0.91542 1.00000
O5 O 0.50000 0.50000 0.00000 1.00000
