UInF7
Alexandria ALEXAlex-ID: agm024199982 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC7_7_spg14
UF5 UInF6 InF3
2024-12-21 12:41:11
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024199982).
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 agm024199982
data_agm024199982
_cell_length_a 9.24995
_cell_length_b 5.95663
_cell_length_c 12.22132
_cell_angle_alpha 90.00000
_cell_angle_beta 117.83834
_cell_angle_gamma 90.00000
_cell_volume 595.44599
_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 0.30459 0.74853 0.73329 1.00000
U2 U 0.69541 0.25147 0.26671 1.00000
U3 U 0.69541 0.24853 0.76671 1.00000
U4 U 0.30459 0.75147 0.23329 1.00000
In1 In 0.23027 0.24821 0.95884 1.00000
In2 In 0.76973 0.75179 0.04116 1.00000
In3 In 0.76973 0.74821 0.54116 1.00000
In4 In 0.23027 0.25179 0.45884 1.00000
F1 F 0.20872 0.01846 0.57912 1.00000
F2 F 0.79128 0.98154 0.42088 1.00000
F3 F 0.79128 0.51846 0.92088 1.00000
F4 F 0.20872 0.48154 0.07912 1.00000
F5 F 0.23526 0.50457 0.84078 1.00000
F6 F 0.76474 0.49543 0.15922 1.00000
F7 F 0.76474 0.00457 0.65922 1.00000
F8 F 0.23526 0.99543 0.34078 1.00000
F9 F 0.25006 0.02828 0.82841 1.00000
F10 F 0.74994 0.97172 0.17159 1.00000
F11 F 0.74994 0.52828 0.67159 1.00000
F12 F 0.25006 0.47172 0.32841 1.00000
F13 F 0.97673 0.23831 0.85411 1.00000
F14 F 0.02327 0.76169 0.14589 1.00000
F15 F 0.02327 0.73831 0.64589 1.00000
F16 F 0.97673 0.26169 0.35411 1.00000
F17 F 0.77857 0.03835 0.94211 1.00000
F18 F 0.22143 0.96165 0.05789 1.00000
F19 F 0.22143 0.53835 0.55789 1.00000
F20 F 0.77857 0.46165 0.44211 1.00000
F21 F 0.48456 0.25198 0.56072 1.00000
F22 F 0.51544 0.74802 0.43928 1.00000
F23 F 0.51544 0.75198 0.93928 1.00000
F24 F 0.48456 0.24802 0.06072 1.00000
F25 F 0.48257 0.43972 0.76314 1.00000
F26 F 0.51743 0.56028 0.23686 1.00000
F27 F 0.51743 0.93972 0.73686 1.00000
F28 F 0.48257 0.06028 0.26314 1.00000
