Np(CuI3)2
Alexandria ALEXAlex-ID: agm005677320 · 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
AB2C6_2192_spg12
NpI4 Cu3I4 NpI3
2023-07-07 00:37:19.414736
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005677320).
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 agm005677320
data_agm005677320
_cell_length_a 4.28646
_cell_length_b 8.78900
_cell_length_c 10.82494
_cell_angle_alpha 104.67858
_cell_angle_beta 90.00000
_cell_angle_gamma 104.11410
_cell_volume 381.76505
_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
Np1 Np 0.00000 0.00000 0.50000 1.00000
Cu1 Cu 0.22564 0.45127 0.91887 1.00000
Cu2 Cu 0.77436 0.54873 0.08113 1.00000
I1 I 0.06582 0.13163 0.78277 1.00000
I2 I 0.20783 0.41565 0.15249 1.00000
I3 I 0.79217 0.58435 0.84751 1.00000
I4 I 0.37569 0.75139 0.52577 1.00000
I5 I 0.62431 0.24861 0.47423 1.00000
I6 I 0.93418 0.86837 0.21723 1.00000
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