Na2CdAgF8
Alexandria ALEXAlex-ID: agm004909461 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_299_spg10
NaCdF3 NaF3 NaAgF4 CdF2
2022-12-20 14:14:27.166206
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004909461).
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 agm004909461
data_agm004909461
_cell_length_a 4.34781
_cell_length_b 5.46513
_cell_length_c 7.29232
_cell_angle_alpha 91.82914
_cell_angle_beta 88.65549
_cell_angle_gamma 95.72600
_cell_volume 172.28741
_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 0.48840 0.48594 0.74465 1.00000
Na2 Na 0.51160 0.51406 0.25535 1.00000
Cd1 Cd 0.00000 0.00000 0.50000 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
F1 F 0.10415 0.77023 0.23156 1.00000
F2 F 0.62748 0.76651 0.99997 1.00000
F3 F 0.86737 0.20102 0.21615 1.00000
F4 F 0.89585 0.22977 0.76844 1.00000
F5 F 0.37252 0.23349 0.00003 1.00000
F6 F 0.13263 0.79898 0.78385 1.00000
F7 F 0.59276 0.75144 0.51396 1.00000
F8 F 0.40724 0.24856 0.48604 1.00000
获取直接链接