LiV4O5F7
Alexandria ALEXAlex-ID: agm005243418 · 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
AB4C5D7_1_spg1
Li2VF6 VOF2 V4O9 LiVF4
2023-05-07 11:27:52.299679
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005243418).
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 agm005243418
data_agm005243418
_cell_length_a 5.13017
_cell_length_b 5.32185
_cell_length_c 7.58631
_cell_angle_alpha 86.48372
_cell_angle_beta 89.87534
_cell_angle_gamma 87.98627
_cell_volume 206.60415
_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 0.49652 0.08461 0.80841 1.00000
V1 V 0.01084 0.97076 0.50152 1.00000
V2 V 0.47428 0.46658 0.50058 1.00000
V3 V 0.48618 0.51464 0.02849 1.00000
V4 V 0.99663 0.00541 0.00270 1.00000
O1 O 0.19725 0.70569 0.54085 1.00000
O2 O 0.30588 0.19922 0.55442 1.00000
O3 O 0.29349 0.82109 0.94700 1.00000
O4 O 0.40923 0.49358 0.24714 1.00000
O5 O 0.71579 0.20578 0.02269 1.00000
F1 F 0.10311 0.01417 0.25132 1.00000
F2 F 0.20990 0.30986 0.93375 1.00000
F3 F 0.59185 0.49503 0.74505 1.00000
F4 F 0.69418 0.78922 0.45089 1.00000
F5 F 0.80773 0.29093 0.45037 1.00000
F6 F 0.80666 0.69541 0.05269 1.00000
F7 F 0.86905 0.99340 0.74212 1.00000
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