LiV(PO4)2
Alexandria ALEXAlex-ID: agm005244251 · 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
ABC2D8_6_spg14
VPO5 LiPO3
2024-10-15 19:28:58
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005244251).
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 agm005244251
data_agm005244251
_cell_length_a 16.69150
_cell_length_b 4.85612
_cell_length_c 8.36141
_cell_angle_alpha 62.39929
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 600.61304
_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 0.88486 0.87399 0.39515 1.00000
Li2 Li 0.38486 0.12601 0.10485 1.00000
Li3 Li 0.61514 0.87399 0.89515 1.00000
Li4 Li 0.11514 0.12601 0.60485 1.00000
V1 V 0.86690 0.22485 0.97479 1.00000
V2 V 0.36690 0.77515 0.52521 1.00000
V3 V 0.63310 0.22485 0.47479 1.00000
V4 V 0.13310 0.77515 0.02521 1.00000
P1 P 0.70638 0.91078 0.23208 1.00000
P2 P 0.54410 0.55410 0.69887 1.00000
P3 P 0.04410 0.44590 0.80113 1.00000
P4 P 0.20638 0.08922 0.26792 1.00000
P5 P 0.79362 0.91078 0.73208 1.00000
P6 P 0.95590 0.55410 0.19887 1.00000
P7 P 0.45590 0.44590 0.30113 1.00000
P8 P 0.29362 0.08922 0.76792 1.00000
O1 O 0.18715 0.84989 0.19390 1.00000
O2 O 0.69728 0.58144 0.40363 1.00000
O3 O 0.65431 0.94758 0.07981 1.00000
O4 O 0.41960 0.71969 0.32526 1.00000
O5 O 0.07354 0.13496 0.96377 1.00000
O6 O 0.06265 0.45965 0.62376 1.00000
O7 O 0.79722 0.96275 0.18278 1.00000
O8 O 0.44999 0.54556 0.67122 1.00000
O9 O 0.94999 0.45444 0.82878 1.00000
O10 O 0.56265 0.54035 0.87624 1.00000
O11 O 0.57354 0.86504 0.53623 1.00000
O12 O 0.29722 0.03725 0.31722 1.00000
O13 O 0.91960 0.28031 0.17474 1.00000
O14 O 0.15431 0.05242 0.42019 1.00000
O15 O 0.19728 0.41856 0.09637 1.00000
O16 O 0.31285 0.84989 0.69390 1.00000
O17 O 0.68715 0.15011 0.30610 1.00000
O18 O 0.80272 0.58144 0.90363 1.00000
O19 O 0.84569 0.94758 0.57981 1.00000
O20 O 0.08040 0.71969 0.82526 1.00000
O21 O 0.70278 0.96275 0.68278 1.00000
O22 O 0.42646 0.13496 0.46377 1.00000
O23 O 0.43735 0.45965 0.12376 1.00000
O24 O 0.05001 0.54556 0.17122 1.00000
O25 O 0.55001 0.45444 0.32878 1.00000
O26 O 0.20278 0.03725 0.81722 1.00000
O27 O 0.93735 0.54035 0.37624 1.00000
O28 O 0.92646 0.86504 0.03623 1.00000
O29 O 0.58040 0.28031 0.67474 1.00000
O30 O 0.34569 0.05242 0.92019 1.00000
O31 O 0.30272 0.41856 0.59637 1.00000
O32 O 0.81285 0.15011 0.80610 1.00000
