YInF6
Alexandria ALEXAlex-ID: agm070908293 · 空间群: P4_332 (#212)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_1361_spg212
YInF6
2024-08-06 19:18:58.702347
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm070908293).
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 agm070908293
data_agm070908293
_cell_length_a 9.77848
_cell_length_b 9.77848
_cell_length_c 9.77848
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 935.00597
_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
Y1 Y 0.62500 0.62500 0.62500 1.00000
Y2 Y 0.87500 0.37500 0.12500 1.00000
Y3 Y 0.37500 0.12500 0.87500 1.00000
Y4 Y 0.12500 0.87500 0.37500 1.00000
In1 In 0.12500 0.12500 0.12500 1.00000
In2 In 0.37500 0.87500 0.62500 1.00000
In3 In 0.87500 0.62500 0.37500 1.00000
In4 In 0.62500 0.37500 0.87500 1.00000
F1 F 0.40986 0.34897 0.87250 1.00000
F2 F 0.09014 0.65103 0.37250 1.00000
F3 F 0.59014 0.84897 0.62750 1.00000
F4 F 0.90986 0.15103 0.12750 1.00000
F5 F 0.87250 0.40986 0.34897 1.00000
F6 F 0.37250 0.09014 0.65103 1.00000
F7 F 0.62750 0.59014 0.84897 1.00000
F8 F 0.12750 0.90986 0.15103 1.00000
F9 F 0.34897 0.87250 0.40986 1.00000
F10 F 0.65103 0.37250 0.09014 1.00000
F11 F 0.84897 0.62750 0.59014 1.00000
F12 F 0.15103 0.12750 0.90986 1.00000
F13 F 0.59897 0.15986 0.87750 1.00000
F14 F 0.90103 0.84014 0.37750 1.00000
F15 F 0.09897 0.34014 0.12250 1.00000
F16 F 0.40103 0.65986 0.62250 1.00000
F17 F 0.65986 0.62250 0.40103 1.00000
F18 F 0.34014 0.12250 0.09897 1.00000
F19 F 0.84014 0.37750 0.90103 1.00000
F20 F 0.15986 0.87750 0.59897 1.00000
F21 F 0.12250 0.09897 0.34014 1.00000
F22 F 0.62250 0.40103 0.65986 1.00000
F23 F 0.87750 0.59897 0.15986 1.00000
F24 F 0.37750 0.90103 0.84014 1.00000
