K2Np(I2F)2
Alexandria ALEXAlex-ID: agm004565804 · 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
AB2C2D4_241_spg12
KI3 K2NpI6 Np4F15 KI
2022-06-19 13:56:22.952117
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004565804).
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 agm004565804
data_agm004565804
_cell_length_a 6.23658
_cell_length_b 7.76615
_cell_length_c 7.76615
_cell_angle_alpha 67.02060
_cell_angle_beta 91.61358
_cell_angle_gamma 91.61358
_cell_volume 346.10116
_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
K1 K 0.25488 0.65003 0.65003 1.00000
K2 K 0.74512 0.34997 0.34997 1.00000
Np1 Np 0.50000 0.00000 0.00000 1.00000
I1 I 0.25722 0.62130 0.13901 1.00000
I2 I 0.74278 0.86099 0.37870 1.00000
I3 I 0.74278 0.37870 0.86099 1.00000
I4 I 0.25722 0.13901 0.62130 1.00000
F1 F 0.28053 0.11271 0.11271 1.00000
F2 F 0.71947 0.88729 0.88729 1.00000
获取直接链接