LiV2F7
Alexandria ALEXAlex-ID: agm006229741 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_219_spg62
LiVF4 VF3
2024-11-02 13:49:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006229741).
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 agm006229741
data_agm006229741
_cell_length_a 5.37396
_cell_length_b 7.42583
_cell_length_c 11.64194
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 464.58439
_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 0.37604 0.25000 0.62329 1.00000
Li2 Li 0.87604 0.75000 0.87671 1.00000
Li3 Li 0.12396 0.25000 0.12329 1.00000
Li4 Li 0.62396 0.75000 0.37671 1.00000
V1 V 0.87870 0.47837 0.62866 1.00000
V2 V 0.87870 0.02163 0.62866 1.00000
V3 V 0.37870 0.52163 0.87134 1.00000
V4 V 0.37870 0.97837 0.87134 1.00000
V5 V 0.62130 0.47837 0.12866 1.00000
V6 V 0.62130 0.02163 0.12866 1.00000
V7 V 0.12130 0.52163 0.37134 1.00000
V8 V 0.12130 0.97837 0.37134 1.00000
F1 F 0.20628 0.03302 0.54072 1.00000
F2 F 0.20628 0.46698 0.54072 1.00000
F3 F 0.70625 0.25000 0.56108 1.00000
F4 F 0.83676 0.75000 0.62629 1.00000
F5 F 0.03613 0.25000 0.69002 1.00000
F6 F 0.55430 0.44994 0.72255 1.00000
F7 F 0.55430 0.05006 0.72255 1.00000
F8 F 0.05430 0.55006 0.77745 1.00000
F9 F 0.05430 0.94994 0.77745 1.00000
F10 F 0.53613 0.75000 0.80998 1.00000
F11 F 0.33676 0.25000 0.87371 1.00000
F12 F 0.20625 0.75000 0.93892 1.00000
F13 F 0.70628 0.96698 0.95928 1.00000
F14 F 0.70628 0.53302 0.95928 1.00000
F15 F 0.29372 0.03302 0.04072 1.00000
F16 F 0.29372 0.46698 0.04072 1.00000
F17 F 0.79375 0.25000 0.06108 1.00000
F18 F 0.66324 0.75000 0.12629 1.00000
F19 F 0.46387 0.25000 0.19002 1.00000
F20 F 0.94570 0.44994 0.22255 1.00000
F21 F 0.94570 0.05006 0.22255 1.00000
F22 F 0.44570 0.55006 0.27745 1.00000
F23 F 0.44570 0.94994 0.27745 1.00000
F24 F 0.96387 0.75000 0.30998 1.00000
F25 F 0.16324 0.25000 0.37371 1.00000
F26 F 0.29375 0.75000 0.43892 1.00000
F27 F 0.79372 0.96698 0.45928 1.00000
F28 F 0.79372 0.53302 0.45928 1.00000
