LiVP2O7
Alexandria ALEXAlex-ID: agm005282875 · 空间群: P2_1/c (#14)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D7_66_spg14
LiVP2O7
2024-10-15 17:38:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005282875).
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 agm005282875
data_agm005282875
_cell_length_a 8.22198
_cell_length_b 6.83252
_cell_length_c 9.42869
_cell_angle_alpha 72.30325
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 504.60949
_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 0.89160 0.22266 0.44821 1.00000
Li2 Li 0.39160 0.77734 0.05179 1.00000
Li3 Li 0.60840 0.22266 0.94821 1.00000
Li4 Li 0.10840 0.77734 0.55179 1.00000
V1 V 0.72203 0.72036 0.49377 1.00000
V2 V 0.77797 0.72036 0.99377 1.00000
V3 V 0.27797 0.27964 0.50623 1.00000
V4 V 0.22203 0.27964 0.00623 1.00000
P1 P 0.08744 0.54417 0.20518 1.00000
P2 P 0.53476 0.94823 0.71138 1.00000
P3 P 0.58744 0.45583 0.29482 1.00000
P4 P 0.41256 0.54417 0.70518 1.00000
P5 P 0.91256 0.45583 0.79482 1.00000
P6 P 0.46524 0.05177 0.28862 1.00000
P7 P 0.03476 0.05177 0.78862 1.00000
P8 P 0.96524 0.94823 0.21138 1.00000
O1 O 0.17232 0.06634 0.89311 1.00000
O2 O 0.23340 0.52204 0.10994 1.00000
O3 O 0.55968 0.85079 0.34074 1.00000
O4 O 0.60486 0.22447 0.28228 1.00000
O5 O 0.40998 0.08728 0.12505 1.00000
O6 O 0.05968 0.14921 0.15926 1.00000
O7 O 0.90998 0.91272 0.37495 1.00000
O8 O 0.92391 0.53203 0.13291 1.00000
O9 O 0.59002 0.91272 0.87495 1.00000
O10 O 0.82768 0.93366 0.10689 1.00000
O11 O 0.67232 0.93366 0.60689 1.00000
O12 O 0.76660 0.47796 0.89006 1.00000
O13 O 0.89514 0.22447 0.78228 1.00000
O14 O 0.94032 0.85079 0.84074 1.00000
O15 O 0.42391 0.46797 0.36709 1.00000
O16 O 0.10486 0.77553 0.21772 1.00000
O17 O 0.26660 0.52204 0.60994 1.00000
O18 O 0.39514 0.77553 0.71772 1.00000
O19 O 0.08849 0.39974 0.36597 1.00000
O20 O 0.57609 0.53203 0.63291 1.00000
O21 O 0.58849 0.60026 0.13403 1.00000
O22 O 0.41151 0.39974 0.86597 1.00000
O23 O 0.91151 0.60026 0.63403 1.00000
O24 O 0.73340 0.47796 0.39006 1.00000
O25 O 0.09002 0.08728 0.62505 1.00000
O26 O 0.32768 0.06634 0.39311 1.00000
O27 O 0.44032 0.14921 0.65926 1.00000
O28 O 0.07609 0.46797 0.86709 1.00000
