Li2V2(PO4)3
Alexandria ALEXAlex-ID: agm005232567 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D12_25_spg2
LiVPO5 LiVP2O7
2022-12-13 07:45:34.931896
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005232567).
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}
}3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005232567
data_agm005232567
_cell_length_a 8.31044
_cell_length_b 8.45680
_cell_length_c 8.95585
_cell_angle_alpha 91.20867
_cell_angle_beta 117.49332
_cell_angle_gamma 119.22980
_cell_volume 461.87178
_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 0.05902 0.73325 0.14556 1.00000
Li2 Li 0.81144 0.07316 0.14318 1.00000
Li3 Li 0.18856 0.92684 0.85682 1.00000
Li4 Li 0.94098 0.26675 0.85444 1.00000
V1 V 0.70065 0.35334 0.05757 1.00000
V2 V 0.29094 0.15392 0.43517 1.00000
V3 V 0.70906 0.84608 0.56483 1.00000
V4 V 0.29935 0.64666 0.94243 1.00000
P1 P 0.78767 0.75164 0.25470 1.00000
P2 P 0.49618 0.03147 0.25137 1.00000
P3 P 0.21190 0.45882 0.24387 1.00000
P4 P 0.78810 0.54118 0.75613 1.00000
P5 P 0.50382 0.96853 0.74863 1.00000
P6 P 0.21233 0.24836 0.74530 1.00000
O1 O 0.71133 0.54385 0.20451 1.00000
O2 O 0.00850 0.88754 0.26949 1.00000
O3 O 0.82192 0.80961 0.43861 1.00000
O4 O 0.29512 0.84689 0.08727 1.00000
O5 O 0.38965 0.12138 0.29132 1.00000
O6 O 0.65771 0.16655 0.20271 1.00000
O7 O 0.03398 0.49574 0.21142 1.00000
O8 O 0.23038 0.45793 0.07980 1.00000
O9 O 0.62431 0.79500 0.11893 1.00000
O10 O 0.57019 0.39141 0.58674 1.00000
O11 O 0.86440 0.74479 0.73676 1.00000
O12 O 0.38764 0.01609 0.58562 1.00000
O13 O 0.61236 0.98391 0.41438 1.00000
O14 O 0.13560 0.25521 0.26324 1.00000
O15 O 0.42981 0.60859 0.41326 1.00000
O16 O 0.37569 0.20500 0.88107 1.00000
O17 O 0.76962 0.54207 0.92020 1.00000
O18 O 0.96602 0.50426 0.78858 1.00000
O19 O 0.34229 0.83345 0.79729 1.00000
O20 O 0.61035 0.87862 0.70868 1.00000
O21 O 0.70488 0.15311 0.91273 1.00000
O22 O 0.17808 0.19039 0.56139 1.00000
O23 O 0.99150 0.11246 0.73051 1.00000
O24 O 0.28867 0.45615 0.79549 1.00000
