Li2V2(PO4)3
Alexandria ALEXAlex-ID: agm005269882 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D12_44_spg2
LiVPO5 LiVP2O7
2023-04-30 19:08:27.557836
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005269882).
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 agm005269882
data_agm005269882
_cell_length_a 9.81703
_cell_length_b 9.05591
_cell_length_c 10.00485
_cell_angle_alpha 128.03258
_cell_angle_beta 110.22041
_cell_angle_gamma 102.81730
_cell_volume 531.63026
_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 0.27489 0.58538 0.79425 1.00000
Li2 Li 0.79598 0.19929 0.87249 1.00000
Li3 Li 0.20402 0.80071 0.12751 1.00000
Li4 Li 0.72511 0.41462 0.20575 1.00000
V1 V 0.37656 0.33851 0.25167 1.00000
V2 V 0.10978 0.15197 0.75786 1.00000
V3 V 0.89022 0.84803 0.24214 1.00000
V4 V 0.62344 0.66149 0.74833 1.00000
P1 P 0.96660 0.67013 0.72858 1.00000
P2 P 0.54889 0.80789 0.26654 1.00000
P3 P 0.88328 0.24630 0.60700 1.00000
P4 P 0.11672 0.75370 0.39300 1.00000
P5 P 0.45111 0.19211 0.73346 1.00000
P6 P 0.03340 0.32987 0.27142 1.00000
O1 O 0.01801 0.53598 0.78701 1.00000
O2 O 0.08915 0.52463 0.52591 1.00000
O3 O 0.15074 0.14653 0.96518 1.00000
O4 O 0.38672 0.75204 0.09973 1.00000
O5 O 0.53125 0.69950 0.57022 1.00000
O6 O 0.25231 0.39652 0.09741 1.00000
O7 O 0.71084 0.89687 0.77697 1.00000
O8 O 0.51616 0.33365 0.19672 1.00000
O9 O 0.98923 0.82000 0.45782 1.00000
O10 O 0.06637 0.76771 0.23236 1.00000
O11 O 0.77424 0.58508 0.64238 1.00000
O12 O 0.34003 0.25344 0.81140 1.00000
O13 O 0.65997 0.74656 0.18860 1.00000
O14 O 0.22576 0.41492 0.35762 1.00000
O15 O 0.93363 0.23229 0.76764 1.00000
O16 O 0.01077 0.18000 0.54218 1.00000
O17 O 0.48384 0.66635 0.80328 1.00000
O18 O 0.28916 0.10313 0.22303 1.00000
O19 O 0.74769 0.60348 0.90259 1.00000
O20 O 0.46875 0.30050 0.42978 1.00000
O21 O 0.61328 0.24796 0.90027 1.00000
O22 O 0.84926 0.85347 0.03482 1.00000
O23 O 0.91085 0.47537 0.47409 1.00000
O24 O 0.98199 0.46402 0.21299 1.00000
