Ru(I3F4)2
Alexandria ALEXAlex-ID: agm072808071 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_1217_spg2
RuF4 IF5 I
2024-10-06 08:47:25.659713
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072808071).
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 agm072808071
data_agm072808071
_cell_length_a 8.29089
_cell_length_b 8.53143
_cell_length_c 7.90151
_cell_angle_alpha 92.84076
_cell_angle_beta 81.31455
_cell_angle_gamma 64.78424
_cell_volume 495.77351
_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
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
I1 I 0.32242 0.85754 0.54559 1.00000
I2 I 0.90958 0.40008 0.48662 1.00000
I3 I 0.57789 0.18021 0.80691 1.00000
I4 I 0.67758 0.14246 0.45441 1.00000
I5 I 0.09042 0.59992 0.51338 1.00000
I6 I 0.42211 0.81979 0.19309 1.00000
F1 F 0.88550 0.05733 0.79148 1.00000
F2 F 0.11450 0.94267 0.20852 1.00000
F3 F 0.00573 0.21722 0.01852 1.00000
F4 F 0.24999 0.89066 0.85718 1.00000
F5 F 0.68233 0.71829 0.19260 1.00000
F6 F 0.99427 0.78278 0.98148 1.00000
F7 F 0.75001 0.10934 0.14282 1.00000
F8 F 0.31767 0.28171 0.80740 1.00000
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