UInF7
Alexandria ALEXAlex-ID: agm024204885 · 空间群: P2_1 (#4)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_8_spg4
UF5 UInF6 InF3
2024-12-21 11:09:16
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024204885).
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 agm024204885
data_agm024204885
_cell_length_a 6.09135
_cell_length_b 6.00490
_cell_length_c 8.38619
_cell_angle_alpha 90.00000
_cell_angle_beta 101.92915
_cell_angle_gamma 90.00000
_cell_volume 300.12511
_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
U1 U 0.83679 0.24347 0.30315 1.00000
U2 U 0.16321 0.74347 0.69685 1.00000
In1 In 0.68891 0.24149 0.77113 1.00000
In2 In 0.31109 0.74149 0.22887 1.00000
F1 F 0.98409 0.51627 0.49370 1.00000
F2 F 0.01591 0.01627 0.50630 1.00000
F3 F 0.57708 0.50825 0.24231 1.00000
F4 F 0.42292 0.00825 0.75769 1.00000
F5 F 0.72085 0.24367 0.02316 1.00000
F6 F 0.27915 0.74367 0.97684 1.00000
F7 F 0.57411 0.98038 0.24732 1.00000
F8 F 0.42589 0.48038 0.75268 1.00000
F9 F 0.08644 0.47017 0.21021 1.00000
F10 F 0.91356 0.97017 0.78979 1.00000
F11 F 0.93604 0.49072 0.79458 1.00000
F12 F 0.06396 0.99072 0.20542 1.00000
F13 F 0.63712 0.24329 0.51723 1.00000
F14 F 0.36288 0.74329 0.48277 1.00000
获取直接链接