Pu2F7
Alexandria ALEXAlex-ID: agm024121601 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B7_1_spg36
Pu2F7
2024-12-10 19:56:34
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024121601).
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 agm024121601
data_agm024121601
_cell_length_a 6.36107
_cell_length_b 6.14639
_cell_length_c 8.66989
_cell_angle_alpha 90.00000
_cell_angle_beta 103.07397
_cell_angle_gamma 90.00000
_cell_volume 330.18518
_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 0.15425 0.29716 0.18871 1.00000
Pu2 Pu 0.84575 0.79716 0.81129 1.00000
Pu3 Pu 0.31393 0.29654 0.72613 1.00000
Pu4 Pu 0.68607 0.79654 0.27387 1.00000
F1 F 0.99813 0.05082 0.99836 1.00000
F2 F 0.00187 0.55082 0.00164 1.00000
F3 F 0.41966 0.55929 0.25327 1.00000
F4 F 0.58034 0.05929 0.74673 1.00000
F5 F 0.42574 0.04088 0.25321 1.00000
F6 F 0.57426 0.54088 0.74679 1.00000
F7 F 0.93195 0.05477 0.29173 1.00000
F8 F 0.06805 0.55477 0.70827 1.00000
F9 F 0.27524 0.29823 0.46900 1.00000
F10 F 0.72476 0.79823 0.53100 1.00000
F11 F 0.35521 0.29834 0.98394 1.00000
F12 F 0.64479 0.79834 0.01606 1.00000
F13 F 0.92113 0.52779 0.29028 1.00000
F14 F 0.07887 0.02779 0.70972 1.00000
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