ReF6
Alexandria ALEXAlex-ID: agm071151397 · 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
AB6_127_spg2
ReF6
2024-11-11 04:21:22.276819
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071151397).
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 agm071151397
data_agm071151397
_cell_length_a 5.57791
_cell_length_b 5.92411
_cell_length_c 7.59018
_cell_angle_alpha 79.75171
_cell_angle_beta 75.56560
_cell_angle_gamma 75.12789
_cell_volume 233.01134
_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
Re1 Re 0.00000 0.00000 0.00000 1.00000
Re2 Re 0.50000 0.50000 0.50000 1.00000
F1 F 0.73329 0.66254 0.52395 1.00000
F2 F 0.37967 0.46773 0.75445 1.00000
F3 F 0.87314 0.85061 0.85848 1.00000
F4 F 0.11722 0.70930 0.12888 1.00000
F5 F 0.26671 0.33746 0.47605 1.00000
F6 F 0.68973 0.03458 0.17032 1.00000
F7 F 0.73799 0.21627 0.52147 1.00000
F8 F 0.12686 0.14939 0.14152 1.00000
F9 F 0.26201 0.78373 0.47853 1.00000
F10 F 0.31027 0.96542 0.82968 1.00000
F11 F 0.88278 0.29070 0.87112 1.00000
F12 F 0.62033 0.53227 0.24555 1.00000
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