Rb5NaF5
Alexandria ALEXAlex-ID: agm003672829 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C5_41_spg12
NaF Rb RbF
2022-04-09 12:09:09.124491
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003672829).
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 agm003672829
data_agm003672829
_cell_length_a 5.64644
_cell_length_b 6.91581
_cell_length_c 8.14590
_cell_angle_alpha 106.09439
_cell_angle_beta 90.00000
_cell_angle_gamma 114.09348
_cell_volume 276.66950
_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 0.66938 0.33876 0.30692 1.00000
Rb2 Rb 0.67050 0.34099 0.84926 1.00000
Rb3 Rb 0.00000 0.00000 0.50000 1.00000
Rb4 Rb 0.32950 0.65901 0.15074 1.00000
Rb5 Rb 0.33062 0.66124 0.69308 1.00000
Na1 Na 0.00000 0.00000 0.00000 1.00000
F1 F 0.85076 0.70152 0.15300 1.00000
F2 F 0.85441 0.70883 0.71516 1.00000
F3 F 0.50000 0.00000 0.00000 1.00000
F4 F 0.14559 0.29117 0.28484 1.00000
F5 F 0.14924 0.29848 0.84700 1.00000
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