VAg2(ClF2)2
Alexandria ALEXAlex-ID: agm004565656 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D4_203_spg12
VF4 AgCl
2022-06-19 13:54:24.578597
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004565656).
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 agm004565656
data_agm004565656
_cell_length_a 4.80491
_cell_length_b 6.37589
_cell_length_c 6.37589
_cell_angle_alpha 51.37961
_cell_angle_beta 98.76640
_cell_angle_gamma 98.76640
_cell_volume 150.41185
_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
V1 V 0.50000 0.00000 0.00000 1.00000
Ag1 Ag 0.16800 0.66532 0.66532 1.00000
Ag2 Ag 0.83200 0.33468 0.33468 1.00000
Cl1 Cl 0.32641 0.18624 0.18624 1.00000
Cl2 Cl 0.67359 0.81376 0.81376 1.00000
F1 F 0.24742 0.70019 0.18573 1.00000
F2 F 0.75258 0.81427 0.29981 1.00000
F3 F 0.75258 0.29981 0.81427 1.00000
F4 F 0.24742 0.18573 0.70019 1.00000
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