PuIn3I5
Alexandria ALEXAlex-ID: agm072272811 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C5_1127_spg1
InI PuI3 In
2024-09-24 14:54:31.586323
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072272811).
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 agm072272811
data_agm072272811
_cell_length_a 4.64205
_cell_length_b 6.63950
_cell_length_c 12.89648
_cell_angle_alpha 102.50570
_cell_angle_beta 79.61849
_cell_angle_gamma 89.98870
_cell_volume 381.37925
_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 0.07127 0.33303 0.99585 1.00000
In1 In 0.77212 0.37011 0.59455 1.00000
In2 In 0.37400 0.74720 0.39183 1.00000
In3 In 0.37214 0.24440 0.39626 1.00000
I1 I 0.78458 0.85235 0.57005 1.00000
I2 I 0.18279 0.48012 0.77269 1.00000
I3 I 0.95861 0.18484 0.22262 1.00000
I4 I 0.61750 0.03570 0.90390 1.00000
I5 I 0.51931 0.63160 0.09918 1.00000
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