Li3V4FeO12
Alexandria ALEXAlex-ID: agm005267598 · 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
AB3C4D12_115_spg1
LiV2O5 V2Fe2O7 LiVO3 Li3VO4
2023-05-08 03:25:39.700613
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005267598).
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 agm005267598
data_agm005267598
_cell_length_a 5.79705
_cell_length_b 6.89158
_cell_length_c 6.92196
_cell_angle_alpha 79.42180
_cell_angle_beta 75.14829
_cell_angle_gamma 71.79560
_cell_volume 252.30224
_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 0.75882 0.09273 0.90670 1.00000
Li2 Li 0.18032 0.29742 0.76727 1.00000
Li3 Li 0.68162 0.75867 0.28161 1.00000
V1 V 0.76274 0.62786 0.79021 1.00000
V2 V 0.21805 0.84499 0.60799 1.00000
V3 V 0.75469 0.17151 0.38370 1.00000
V4 V 0.23598 0.36680 0.21140 1.00000
Fe1 Fe 0.26056 0.91044 0.07200 1.00000
O1 O 0.65410 0.78635 0.98252 1.00000
O2 O 0.79324 0.37955 0.88555 1.00000
O3 O 0.17082 0.99890 0.80244 1.00000
O4 O 0.56719 0.69583 0.61485 1.00000
O5 O 0.82447 0.03382 0.60138 1.00000
O6 O 0.08380 0.61371 0.67638 1.00000
O7 O 0.91378 0.37088 0.31963 1.00000
O8 O 0.30595 0.91474 0.34787 1.00000
O9 O 0.42639 0.28958 0.40602 1.00000
O10 O 0.84723 0.00925 0.20427 1.00000
O11 O 0.21779 0.61150 0.12521 1.00000
O12 O 0.34246 0.22547 0.01299 1.00000
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