Na4BF8
Alexandria ALEXAlex-ID: agm098009656 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_677_spg8
NaF3 NaBF4 NaF
2025-06-02 11:20:32
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098009656).
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 agm098009656
data_agm098009656
_cell_length_a 3.77495
_cell_length_b 7.45430
_cell_length_c 7.32499
_cell_angle_alpha 70.94135
_cell_angle_beta 72.72237
_cell_angle_gamma 84.87053
_cell_volume 186.02625
_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 0.08394 0.74052 0.21218 1.00000
Na2 Na 0.74377 0.35511 0.10214 1.00000
Na3 Na 0.51727 0.48930 0.61360 1.00000
Na4 Na 0.24966 0.98031 0.54974 1.00000
B1 B 0.55656 0.07799 0.91502 1.00000
F1 F 0.32070 0.23235 0.95114 1.00000
F2 F 0.57961 0.55801 0.27889 1.00000
F3 F 0.82496 0.80248 0.51391 1.00000
F4 F 0.85312 0.15948 0.74454 1.00000
F5 F 0.66402 0.98799 0.09226 1.00000
F6 F 0.80683 0.13209 0.38212 1.00000
F7 F 0.92383 0.54379 0.76588 1.00000
F8 F 0.37573 0.94060 0.87857 1.00000
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