Li2VP2O7
Alexandria ALEXAlex-ID: agm005273345 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D7_61_spg2
LiVP2O7 Li3V2(PO4)3 VP Li3PO4
2023-05-09 16:06:53.017443
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005273345).
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 agm005273345
data_agm005273345
_cell_length_a 5.06806
_cell_length_b 7.01847
_cell_length_c 8.42680
_cell_angle_alpha 67.43681
_cell_angle_beta 87.28954
_cell_angle_gamma 87.64138
_cell_volume 276.40265
_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 0.22486 0.79205 0.56023 1.00000
Li2 Li 0.29098 0.83179 0.99767 1.00000
Li3 Li 0.70902 0.16821 0.00233 1.00000
Li4 Li 0.77514 0.20795 0.43977 1.00000
V1 V 0.24525 0.22581 0.72294 1.00000
V2 V 0.75475 0.77419 0.27706 1.00000
P1 P 0.21805 0.11010 0.18177 1.00000
P2 P 0.28055 0.44803 0.30318 1.00000
P3 P 0.71945 0.55197 0.69682 1.00000
P4 P 0.78195 0.88990 0.81823 1.00000
O1 O 0.08190 0.91497 0.77809 1.00000
O2 O 0.13537 0.29772 0.46293 1.00000
O3 O 0.13047 0.65197 0.21309 1.00000
O4 O 0.29150 0.33990 0.16236 1.00000
O5 O 0.29782 0.11698 0.00188 1.00000
O6 O 0.38536 0.95183 0.32196 1.00000
O7 O 0.42964 0.52360 0.66901 1.00000
O8 O 0.57036 0.47640 0.33099 1.00000
O9 O 0.61464 0.04817 0.67804 1.00000
O10 O 0.70218 0.88302 0.99812 1.00000
O11 O 0.70850 0.66010 0.83764 1.00000
O12 O 0.86953 0.34803 0.78691 1.00000
O13 O 0.86463 0.70228 0.53707 1.00000
O14 O 0.91810 0.08503 0.22191 1.00000
