Pu4Bi3O2
Alexandria ALEXAlex-ID: agm005643566 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_512_spg12
PuBi Pu2BiO2
2023-06-30 21:42:52.888140
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005643566).
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 agm005643566
data_agm005643566
_cell_length_a 4.03605
_cell_length_b 7.22916
_cell_length_c 8.73177
_cell_angle_alpha 69.70855
_cell_angle_beta 76.63741
_cell_angle_gamma 73.79049
_cell_volume 226.89362
_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 0.30112 0.27321 0.12454 1.00000
Pu2 Pu 0.69888 0.72679 0.87546 1.00000
Pu3 Pu 0.12644 0.16196 0.58517 1.00000
Pu4 Pu 0.87356 0.83804 0.41483 1.00000
Bi1 Bi 0.40375 0.48930 0.70320 1.00000
Bi2 Bi 0.00000 0.00000 0.00000 1.00000
Bi3 Bi 0.59625 0.51070 0.29680 1.00000
O1 O 0.30434 0.02114 0.37019 1.00000
O2 O 0.69566 0.97886 0.62981 1.00000
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