LiVP2O7
Alexandria ALEXAlex-ID: agm005251892 · 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_27_spg14
LiVP2O7
2024-10-15 18:12:16
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005251892).
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 agm005251892
data_agm005251892
_cell_length_a 5.05722
_cell_length_b 8.39892
_cell_length_c 13.51867
_cell_angle_alpha 63.56407
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 514.16471
_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 0.24183 0.57998 0.80586 1.00000
Li2 Li 0.74183 0.42002 0.69414 1.00000
Li3 Li 0.25817 0.57998 0.30586 1.00000
Li4 Li 0.75817 0.42002 0.19414 1.00000
V1 V 0.25991 0.73354 0.53082 1.00000
V2 V 0.75991 0.26646 0.96918 1.00000
V3 V 0.24009 0.73354 0.03082 1.00000
V4 V 0.74009 0.26646 0.46918 1.00000
P1 P 0.74129 0.82409 0.64613 1.00000
P2 P 0.26298 0.30088 0.11589 1.00000
P3 P 0.24129 0.17591 0.85387 1.00000
P4 P 0.23702 0.30088 0.61589 1.00000
P5 P 0.76298 0.69912 0.38411 1.00000
P6 P 0.75871 0.82409 0.14613 1.00000
P7 P 0.73702 0.69912 0.88411 1.00000
P8 P 0.25871 0.17591 0.35387 1.00000
O1 O 0.45638 0.75179 0.65886 1.00000
O2 O 0.93894 0.68515 0.64256 1.00000
O3 O 0.85334 0.52678 0.88678 1.00000
O4 O 0.56231 0.31565 0.09296 1.00000
O5 O 0.20751 0.15561 0.24170 1.00000
O6 O 0.11074 0.23326 0.04643 1.00000
O7 O 0.21145 0.99122 0.44381 1.00000
O8 O 0.35334 0.47322 0.61322 1.00000
O9 O 0.43894 0.31485 0.85744 1.00000
O10 O 0.95638 0.24821 0.84114 1.00000
O11 O 0.71145 0.00878 0.05619 1.00000
O12 O 0.93769 0.31565 0.59296 1.00000
O13 O 0.61074 0.76674 0.45357 1.00000
O14 O 0.70751 0.84439 0.25830 1.00000
O15 O 0.29249 0.15561 0.74170 1.00000
O16 O 0.38926 0.23326 0.54643 1.00000
O17 O 0.06231 0.68435 0.40704 1.00000
O18 O 0.28855 0.99122 0.94381 1.00000
O19 O 0.04362 0.75179 0.15886 1.00000
O20 O 0.56106 0.68515 0.14256 1.00000
O21 O 0.64666 0.52678 0.38678 1.00000
O22 O 0.78855 0.00878 0.55619 1.00000
O23 O 0.88926 0.76674 0.95357 1.00000
O24 O 0.79249 0.84439 0.75830 1.00000
O25 O 0.43769 0.68435 0.90704 1.00000
O26 O 0.14666 0.47322 0.11322 1.00000
O27 O 0.06106 0.31485 0.35744 1.00000
O28 O 0.54362 0.24821 0.34114 1.00000
