RbTiF6
Alexandria ALEXAlex-ID: agm002390004 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_1_spg225
RbTi8F33 RbTiF5 RbF8
2019-06-09 09:04:21
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002390004).
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 agm002390004
data_agm002390004
_cell_length_a 6.77586
_cell_length_b 6.73680
_cell_length_c 6.73856
_cell_angle_alpha 57.92148
_cell_angle_beta 58.12061
_cell_angle_gamma 58.12573
_cell_volume 207.80702
_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
F1 F 0.29459 0.70057 0.70053 1.00000
F2 F 0.69935 0.70174 0.29386 1.00000
F3 F 0.69939 0.29375 0.70177 1.00000
F4 F 0.70541 0.29943 0.29947 1.00000
F5 F 0.30061 0.70625 0.29823 1.00000
F6 F 0.30065 0.29826 0.70614 1.00000
Rb1 Rb 0.00000 0.00000 0.00000 1.00000
Ti1 Ti 0.50000 0.50000 0.50000 1.00000
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