Pu2PbO
Alexandria ALEXAlex-ID: agm005805830 · 空间群: Cccm (#66)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_1157_spg66
PuPb Pu2PbO2 Pu
2023-07-13 06:21:17.812777
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005805830).
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 agm005805830
data_agm005805830
_cell_length_a 5.28098
_cell_length_b 5.59377
_cell_length_c 7.13965
_cell_angle_alpha 90.01887
_cell_angle_beta 111.70518
_cell_angle_gamma 90.00008
_cell_volume 195.95551
_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 0.21622 0.12144 0.64326 1.00000
Pu2 Pu 0.02655 0.62105 0.26394 1.00000
Pu3 Pu 0.69935 0.62145 0.64330 1.00000
Pu4 Pu 0.50964 0.12105 0.26389 1.00000
Pb1 Pb 0.86313 0.12125 0.95358 1.00000
Pb2 Pb 0.36313 0.62125 0.95361 1.00000
O1 O 0.36280 0.87125 0.45360 1.00000
O2 O 0.36325 0.37125 0.45360 1.00000
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