Na4AgCl8
Alexandria ALEXAlex-ID: agm097615099 · 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_1470_spg6
NaAgCl6 AgCl2 NaCl
2025-06-16 21:01:41
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097615099).
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 agm097615099
data_agm097615099
_cell_length_a 4.30570
_cell_length_b 10.81059
_cell_length_c 10.09001
_cell_angle_alpha 54.15999
_cell_angle_beta 98.52227
_cell_angle_gamma 99.80282
_cell_volume 374.48189
_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 0.37067 0.80713 0.98735 1.00000
Na2 Na 0.65918 0.53327 0.89672 1.00000
Na3 Na 0.05024 0.28367 0.64506 1.00000
Na4 Na 0.22574 0.94743 0.44015 1.00000
Ag1 Ag 0.65496 0.12462 0.03818 1.00000
Cl1 Cl 0.32898 0.23514 0.11890 1.00000
Cl2 Cl 0.82169 0.59629 0.15216 1.00000
Cl3 Cl 0.20027 0.72525 0.77218 1.00000
Cl4 Cl 0.37322 0.12812 0.56939 1.00000
Cl5 Cl 0.65408 0.88476 0.31742 1.00000
Cl6 Cl 0.60146 0.36188 0.36810 1.00000
Cl7 Cl 0.63175 0.36771 0.75418 1.00000
Cl8 Cl 0.92775 0.00474 0.94022 1.00000
获取直接链接