Li2V(PO3)4
Alexandria ALEXAlex-ID: agm005246269 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D12_14_spg15
LiV(PO3)4 LiVP2O7 LiPO3 P
2024-10-18 06:57:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005246269).
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 agm005246269
data_agm005246269
_cell_length_a 8.69403
_cell_length_b 8.69403
_cell_length_c 7.71586
_cell_angle_alpha 83.08716
_cell_angle_beta 96.91284
_cell_angle_gamma 64.50967
_cell_volume 512.87843
_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 0.49682 0.81527 0.74975 1.00000
Li2 Li 0.18473 0.50318 0.24975 1.00000
Li3 Li 0.81527 0.49682 0.75025 1.00000
Li4 Li 0.50318 0.18473 0.25025 1.00000
V1 V 0.12812 0.12812 0.75000 1.00000
V2 V 0.87188 0.87188 0.25000 1.00000
P1 P 0.06615 0.78951 0.67631 1.00000
P2 P 0.21049 0.93385 0.17631 1.00000
P3 P 0.22383 0.42500 0.87641 1.00000
P4 P 0.57500 0.77617 0.37641 1.00000
P5 P 0.42500 0.22383 0.62359 1.00000
P6 P 0.77617 0.57500 0.12359 1.00000
P7 P 0.78951 0.06615 0.82369 1.00000
P8 P 0.93385 0.21049 0.32369 1.00000
O1 O 0.17429 0.88593 0.67253 1.00000
O2 O 0.02085 0.72775 0.51382 1.00000
O3 O 0.11407 0.82571 0.17253 1.00000
O4 O 0.27225 0.97915 0.01382 1.00000
O5 O 0.16475 0.62819 0.84217 1.00000
O6 O 0.37181 0.83525 0.34217 1.00000
O7 O 0.07582 0.38528 0.81193 1.00000
O8 O 0.61472 0.92418 0.31193 1.00000
O9 O 0.63810 0.68896 0.56842 1.00000
O10 O 0.36523 0.36523 0.75000 1.00000
O11 O 0.89199 0.89199 0.75000 1.00000
O12 O 0.68896 0.63810 0.93158 1.00000
O13 O 0.31104 0.36190 0.06842 1.00000
O14 O 0.10801 0.10801 0.25000 1.00000
O15 O 0.63477 0.63477 0.25000 1.00000
O16 O 0.36190 0.31104 0.43158 1.00000
O17 O 0.38528 0.07582 0.68807 1.00000
O18 O 0.92418 0.61472 0.18807 1.00000
O19 O 0.62819 0.16475 0.65783 1.00000
O20 O 0.83525 0.37181 0.15783 1.00000
O21 O 0.72775 0.02085 0.98618 1.00000
O22 O 0.88593 0.17429 0.82747 1.00000
O23 O 0.97915 0.27225 0.48618 1.00000
O24 O 0.82571 0.11407 0.32747 1.00000
