LiVF3
Alexandria ALEXAlex-ID: agm005289944 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_748_spg15
VF2 LiF
2023-05-08 04:35:59.494908
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005289944).
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 agm005289944
data_agm005289944
_cell_length_a 7.20952
_cell_length_b 7.20952
_cell_length_c 5.85506
_cell_angle_alpha 70.15885
_cell_angle_beta 70.15885
_cell_angle_gamma 64.69402
_cell_volume 251.94526
_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 0.06222 0.93778 0.25000 1.00000
Li2 Li 0.31327 0.68673 0.75000 1.00000
Li3 Li 0.68673 0.31327 0.25000 1.00000
Li4 Li 0.93778 0.06222 0.75000 1.00000
V1 V 0.66066 0.83787 0.19348 1.00000
V2 V 0.83787 0.66066 0.69348 1.00000
V3 V 0.16213 0.33934 0.30652 1.00000
V4 V 0.33934 0.16213 0.80652 1.00000
F1 F 0.33505 0.02927 0.20599 1.00000
F2 F 0.21523 0.92505 0.88384 1.00000
F3 F 0.68453 0.58427 0.06994 1.00000
F4 F 0.58427 0.68453 0.56994 1.00000
F5 F 0.07495 0.78477 0.61616 1.00000
F6 F 0.97073 0.66495 0.29401 1.00000
F7 F 0.02927 0.33505 0.70599 1.00000
F8 F 0.92505 0.21523 0.38384 1.00000
F9 F 0.41573 0.31547 0.43006 1.00000
F10 F 0.31547 0.41573 0.93006 1.00000
F11 F 0.78477 0.07495 0.11616 1.00000
F12 F 0.66495 0.97073 0.79401 1.00000
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