NpI4
Alexandria ALEXAlex-ID: agm010183115 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4_1874_spg2
NpI4
2024-05-09 23:14:23.508985
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010183115).
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 agm010183115
data_agm010183115
_cell_length_a 10.01197
_cell_length_b 10.01197
_cell_length_c 7.69041
_cell_angle_alpha 77.79283
_cell_angle_beta 77.79283
_cell_angle_gamma 128.03532
_cell_volume 531.76826
_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 0.06811 0.93189 0.75000 1.00000
Np2 Np 0.93189 0.06811 0.25000 1.00000
I1 I 0.06153 0.41761 0.24940 1.00000
I2 I 0.41761 0.06153 0.74940 1.00000
I3 I 0.16291 0.27600 0.79978 1.00000
I4 I 0.83709 0.72400 0.20022 1.00000
I5 I 0.27600 0.16291 0.29978 1.00000
I6 I 0.93847 0.58239 0.75060 1.00000
I7 I 0.72400 0.83709 0.70022 1.00000
I8 I 0.58239 0.93847 0.25060 1.00000
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