Rb3Be2F7
Alexandria ALEXAlex-ID: agm003350328 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_4_spg65
RbBeF3 Rb2BeF4
2022-02-02 20:34:06.942105
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003350328).
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
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# CIF generated by HEAS from Alexandria entry agm003350328
data_agm003350328
_cell_length_a 3.90453
_cell_length_b 4.09377
_cell_length_c 10.82038
_cell_angle_alpha 100.90431
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 169.83265
_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
Rb1 Rb 0.50000 0.50000 0.00000 1.00000
Rb2 Rb 0.50000 0.67603 0.35207 1.00000
Rb3 Rb 0.50000 0.32397 0.64793 1.00000
Be1 Be 0.00000 0.91404 0.82808 1.00000
Be2 Be 0.00000 0.08596 0.17192 1.00000
F1 F 0.00000 0.41256 0.82513 1.00000
F2 F 0.00000 0.83756 0.67513 1.00000
F3 F 0.00000 0.00000 0.00000 1.00000
F4 F 0.00000 0.58744 0.17487 1.00000
F5 F 0.50000 0.08595 0.17191 1.00000
F6 F 0.50000 0.91405 0.82809 1.00000
F7 F 0.00000 0.16244 0.32487 1.00000
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