ZnWF4
Alexandria ALEXAlex-ID: agm005239197 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_2242_spg5
ZnWF6 W ZnF2
2023-05-05 07:24:35.041124
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005239197).
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 agm005239197
data_agm005239197
_cell_length_a 8.04639
_cell_length_b 8.04639
_cell_length_c 4.94489
_cell_angle_alpha 70.32280
_cell_angle_beta 70.32280
_cell_angle_gamma 39.49796
_cell_volume 190.15630
_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
Zn1 Zn 0.30524 0.69476 0.50000 1.00000
Zn2 Zn 0.70864 0.29136 0.00000 1.00000
W1 W 0.43823 0.96235 0.79288 1.00000
W2 W 0.03765 0.56177 0.20712 1.00000
F1 F 0.35843 0.22266 0.98457 1.00000
F2 F 0.19692 0.96557 0.15147 1.00000
F3 F 0.50640 0.71887 0.58748 1.00000
F4 F 0.10120 0.28249 0.56441 1.00000
F5 F 0.71751 0.89880 0.43559 1.00000
F6 F 0.28113 0.49360 0.41252 1.00000
F7 F 0.03443 0.80308 0.84853 1.00000
F8 F 0.77734 0.64157 0.01543 1.00000
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