LiVF3
Alexandria ALEXAlex-ID: agm005287988 · 空间群: P2_13 (#198)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_62_spg198
VF2 LiF
2023-05-08 04:28:24.115321
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005287988).
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 agm005287988
data_agm005287988
_cell_length_a 6.15235
_cell_length_b 6.15235
_cell_length_c 6.15235
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 232.87556
_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
Li1 Li 0.87837 0.87837 0.87837 1.00000
Li2 Li 0.12163 0.37837 0.62163 1.00000
Li3 Li 0.62163 0.12163 0.37837 1.00000
Li4 Li 0.37837 0.62163 0.12163 1.00000
V1 V 0.16352 0.16352 0.16352 1.00000
V2 V 0.33648 0.83648 0.66352 1.00000
V3 V 0.66352 0.33648 0.83648 1.00000
V4 V 0.83648 0.66352 0.33648 1.00000
F1 F 0.00925 0.72663 0.62824 1.00000
F2 F 0.27337 0.12824 0.49075 1.00000
F3 F 0.12824 0.49075 0.27337 1.00000
F4 F 0.37176 0.50925 0.77337 1.00000
F5 F 0.22663 0.87176 0.99075 1.00000
F6 F 0.49075 0.27337 0.12824 1.00000
F7 F 0.50925 0.77337 0.37176 1.00000
F8 F 0.77337 0.37176 0.50925 1.00000
F9 F 0.62824 0.00925 0.72663 1.00000
F10 F 0.87176 0.99075 0.22663 1.00000
F11 F 0.72663 0.62824 0.00925 1.00000
F12 F 0.99075 0.22663 0.87176 1.00000
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