Li4V4(OF3)3
Alexandria ALEXAlex-ID: agm005219081 · 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
A3B4C4D9_1_spg1
LiV3(OF3)2 V2O3 VF2 LiF
2023-05-08 08:19:04.918480
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005219081).
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
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# CIF generated by HEAS from Alexandria entry agm005219081
data_agm005219081
_cell_length_a 5.85899
_cell_length_b 5.35819
_cell_length_c 9.31500
_cell_angle_alpha 96.78440
_cell_angle_beta 89.47568
_cell_angle_gamma 119.92863
_cell_volume 251.23864
_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 0.22130 0.52731 0.16216 1.00000
Li2 Li 0.73584 0.85962 0.38543 1.00000
Li3 Li 0.87818 0.44039 0.42848 1.00000
Li4 Li 0.66547 0.44052 0.99140 1.00000
V1 V 0.29816 0.96466 0.60853 1.00000
V2 V 0.13380 0.01397 0.93258 1.00000
V3 V 0.27191 0.07864 0.26981 1.00000
V4 V 0.68525 0.95466 0.75531 1.00000
O1 O 0.43907 0.12021 0.81554 1.00000
O2 O 0.34342 0.26770 0.09465 1.00000
O3 O 0.09335 0.87456 0.43292 1.00000
F1 F 0.56254 0.43679 0.38319 1.00000
F2 F 0.02579 0.25300 0.30134 1.00000
F3 F 0.68968 0.11641 0.55358 1.00000
F4 F 0.03409 0.29306 0.85909 1.00000
F5 F 0.03503 0.70430 0.09838 1.00000
F6 F 0.73006 0.80515 0.94601 1.00000
F7 F 0.94493 0.79116 0.70995 1.00000
F8 F 0.48820 0.89136 0.25506 1.00000
F9 F 0.33916 0.62741 0.63181 1.00000
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