Na4RhF10
Alexandria ALEXAlex-ID: agm005995866 · 空间群: I4/m (#87)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C10_7_spg87
NaF3 NaRhF6 NaF
2023-08-08 04:04:32.245317
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005995866).
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 agm005995866
data_agm005995866
_cell_length_a 5.24119
_cell_length_b 6.59971
_cell_length_c 6.59971
_cell_angle_alpha 80.92830
_cell_angle_beta 66.60441
_cell_angle_gamma 66.60442
_cell_volume 192.29259
_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
Na1 Na 0.40268 0.79572 0.39891 1.00000
Na2 Na 0.80160 0.60109 0.79572 1.00000
Na3 Na 0.19840 0.39891 0.20428 1.00000
Na4 Na 0.59732 0.20428 0.60109 1.00000
Rh1 Rh 0.00000 0.00000 0.00000 1.00000
F1 F 0.25000 0.50000 0.50000 1.00000
F2 F 0.68317 0.26399 0.92571 1.00000
F3 F 0.05284 0.07429 0.26399 1.00000
F4 F 0.39112 0.92571 0.73601 1.00000
F5 F 0.87286 0.73601 0.07429 1.00000
F6 F 0.31683 0.73601 0.07429 1.00000
F7 F 0.75000 0.50000 0.50000 1.00000
F8 F 0.12714 0.26399 0.92571 1.00000
F9 F 0.60888 0.07429 0.26399 1.00000
F10 F 0.94716 0.92571 0.73601 1.00000
获取直接链接