NaZnCl3
Alexandria ALEXAlex-ID: agm003708397 · 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
ABC3_6566_spg2
Na2ZnCl4 ZnCl2
2022-04-30 20:07:42.101881
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003708397).
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 agm003708397
data_agm003708397
_cell_length_a 4.51247
_cell_length_b 9.59307
_cell_length_c 6.89458
_cell_angle_alpha 67.89263
_cell_angle_beta 86.21302
_cell_angle_gamma 87.49055
_cell_volume 275.85136
_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 0.97079 0.00883 0.59702 1.00000
Na2 Na 0.51254 0.89575 0.18488 1.00000
Zn1 Zn 0.73921 0.62740 0.76459 1.00000
Zn2 Zn 0.74633 0.27670 0.01789 1.00000
Cl1 Cl 0.52303 0.42951 0.71273 1.00000
Cl2 Cl 0.96231 0.47476 0.06970 1.00000
Cl3 Cl 0.49805 0.14006 0.32988 1.00000
Cl4 Cl 0.48117 0.81278 0.84134 1.00000
Cl5 Cl 0.00367 0.09143 0.94086 1.00000
Cl6 Cl 0.98629 0.76457 0.45218 1.00000
获取直接链接