LiV4(NiO6)2
Alexandria ALEXAlex-ID: agm005270734 · 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
AB2C4D12_99_spg1
LiV2O5 V2Ni2O7
2023-05-07 21:43:19.652805
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005270734).
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 agm005270734
data_agm005270734
_cell_length_a 5.74373
_cell_length_b 6.72229
_cell_length_c 6.87748
_cell_angle_alpha 81.94292
_cell_angle_beta 76.53727
_cell_angle_gamma 73.43050
_cell_volume 246.74964
_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 0.31016 0.40566 0.72916 1.00000
V1 V 0.73332 0.63209 0.80135 1.00000
V2 V 0.19876 0.85917 0.60890 1.00000
V3 V 0.77036 0.20325 0.38705 1.00000
V4 V 0.25455 0.39540 0.21718 1.00000
Ni1 Ni 0.77166 0.09724 0.92364 1.00000
Ni2 Ni 0.27165 0.93976 0.08430 1.00000
O1 O 0.64230 0.83372 0.95992 1.00000
O2 O 0.77959 0.39525 0.93222 1.00000
O3 O 0.14641 0.99503 0.83017 1.00000
O4 O 0.49956 0.64710 0.66709 1.00000
O5 O 0.80931 0.07283 0.61425 1.00000
O6 O 0.03363 0.63702 0.65560 1.00000
O7 O 0.94147 0.39627 0.33439 1.00000
O8 O 0.29307 0.96056 0.36856 1.00000
O9 O 0.44695 0.33115 0.40987 1.00000
O10 O 0.86638 0.03895 0.20246 1.00000
O11 O 0.24309 0.63852 0.12883 1.00000
O12 O 0.36279 0.24102 0.01504 1.00000
获取直接链接