Li2V3(P2O7)2
Alexandria ALEXAlex-ID: agm005290656 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4D14_37_spg2
LiVP2O7 VPO4 Li3V2(PO4)3 V4P3
2024-10-18 08:05:08
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005290656).
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 agm005290656
data_agm005290656
_cell_length_a 5.31543
_cell_length_b 6.64175
_cell_length_c 15.90599
_cell_angle_alpha 82.22959
_cell_angle_beta 83.99875
_cell_angle_gamma 72.22136
_cell_volume 528.62152
_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 0.08796 0.18494 0.98307 1.00000
Li2 Li 0.34398 0.68683 0.11862 1.00000
Li3 Li 0.65602 0.31317 0.88138 1.00000
Li4 Li 0.91204 0.81506 0.01693 1.00000
V1 V 0.16450 0.28896 0.58127 1.00000
V2 V 0.04548 0.63010 0.81884 1.00000
V3 V 0.24153 0.96463 0.32978 1.00000
V4 V 0.75847 0.03537 0.67022 1.00000
V5 V 0.95452 0.36990 0.18116 1.00000
V6 V 0.83550 0.71104 0.41873 1.00000
P1 P 0.18215 0.10193 0.79369 1.00000
P2 P 0.37732 0.43241 0.31857 1.00000
P3 P 0.53874 0.23962 0.07263 1.00000
P4 P 0.28498 0.78646 0.53849 1.00000
P5 P 0.71502 0.21354 0.46151 1.00000
P6 P 0.46126 0.76038 0.92737 1.00000
P7 P 0.62268 0.56759 0.68143 1.00000
P8 P 0.81785 0.89807 0.20631 1.00000
O1 O 0.01096 0.02668 0.21271 1.00000
O2 O 0.23949 0.30330 0.06449 1.00000
O3 O 0.22941 0.29617 0.28484 1.00000
O4 O 0.04157 0.29264 0.84556 1.00000
O5 O 0.18739 0.65284 0.33530 1.00000
O6 O 0.13333 0.62510 0.53553 1.00000
O7 O 0.33386 0.15194 0.71063 1.00000
O8 O 0.58300 0.04199 0.14769 1.00000
O9 O 0.11948 0.97516 0.58630 1.00000
O10 O 0.71420 0.14503 0.99540 1.00000
O11 O 0.44837 0.31964 0.41270 1.00000
O12 O 0.37407 0.58138 0.89984 1.00000
O13 O 0.58757 0.14852 0.54830 1.00000
O14 O 0.62615 0.44839 0.26840 1.00000
O15 O 0.37385 0.55161 0.73160 1.00000
O16 O 0.41243 0.85148 0.45170 1.00000
O17 O 0.62593 0.41862 0.10016 1.00000
O18 O 0.55163 0.68036 0.58730 1.00000
O19 O 0.28580 0.85497 0.00460 1.00000
O20 O 0.88052 0.02484 0.41370 1.00000
O21 O 0.41700 0.95801 0.85231 1.00000
O22 O 0.66614 0.84806 0.28937 1.00000
O23 O 0.86667 0.37490 0.46447 1.00000
O24 O 0.81261 0.34716 0.66470 1.00000
O25 O 0.95843 0.70736 0.15444 1.00000
O26 O 0.77059 0.70383 0.71516 1.00000
O27 O 0.76051 0.69670 0.93551 1.00000
O28 O 0.98904 0.97332 0.78729 1.00000
