Pu2PaO8
Alexandria ALEXAlex-ID: agm005879697 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_2020_spg1
Pu2O5 PuO3 Pa2O5
2023-09-28 13:45:18
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005879697).
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
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# CIF generated by HEAS from Alexandria entry agm005879697
data_agm005879697
_cell_length_a 4.14279
_cell_length_b 5.74413
_cell_length_c 8.17228
_cell_angle_alpha 97.25369
_cell_angle_beta 86.17732
_cell_angle_gamma 71.83906
_cell_volume 182.14373
_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 0.36562 0.71501 0.41572 1.00000
Pu2 Pu 0.96930 0.40305 0.73570 1.00000
Pa1 Pa 0.55903 0.10705 0.04081 1.00000
O1 O 0.33896 0.89137 0.23028 1.00000
O2 O 0.42010 0.53356 0.60155 1.00000
O3 O 0.13185 0.10068 0.59188 1.00000
O4 O 0.05402 0.15077 0.97699 1.00000
O5 O 0.86533 0.70411 0.44129 1.00000
O6 O 0.49005 0.37408 0.24142 1.00000
O7 O 0.49850 0.31031 0.84311 1.00000
O8 O 0.80724 0.71000 0.88125 1.00000
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