Pu2IF3
Alexandria ALEXAlex-ID: agm005807330 · 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
AB2C3_6_spg12
Pu2IF4 PuI2 Pu
2023-08-17 22:42:33.309183
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005807330).
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 agm005807330
data_agm005807330
_cell_length_a 4.08764
_cell_length_b 7.95298
_cell_length_c 8.52748
_cell_angle_alpha 111.27798
_cell_angle_beta 90.00003
_cell_angle_gamma 104.89142
_cell_volume 248.30331
_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 0.47330 0.94661 0.77536 1.00000
Pu2 Pu 0.52670 0.05339 0.22464 1.00000
Pu3 Pu 0.81214 0.62429 0.34376 1.00000
Pu4 Pu 0.18786 0.37571 0.65624 1.00000
I1 I 0.85659 0.71317 0.94296 1.00000
I2 I 0.14341 0.28683 0.05704 1.00000
F1 F 0.31364 0.62728 0.54591 1.00000
F2 F 0.94714 0.89428 0.61010 1.00000
F3 F 0.60611 0.21221 0.68782 1.00000
F4 F 0.39389 0.78779 0.31218 1.00000
F5 F 0.05286 0.10572 0.38990 1.00000
F6 F 0.68636 0.37272 0.45409 1.00000
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