Li3V4(PO4)6
Alexandria ALEXAlex-ID: agm003245239 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C6D24_1_spg2
LiVPO5 LiVP2O7 LiV2(PO4)3
2021-12-18 01:11:41.555738
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003245239).
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 agm003245239
data_agm003245239
_cell_length_a 6.41865
_cell_length_b 8.38008
_cell_length_c 8.89550
_cell_angle_alpha 91.28294
_cell_angle_beta 107.27423
_cell_angle_gamma 105.85257
_cell_volume 436.72058
_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 0.77038 0.73547 0.31391 1.00000
Li2 Li 0.00000 0.50000 0.50000 1.00000
Li3 Li 0.22962 0.26453 0.68609 1.00000
V1 V 0.36622 0.94230 0.61470 1.00000
V2 V 0.87068 0.63339 0.93991 1.00000
V3 V 0.12932 0.36661 0.06009 1.00000
V4 V 0.63378 0.05770 0.38530 1.00000
P1 P 0.24962 0.70909 0.27978 1.00000
P2 P 0.88406 0.85988 0.65210 1.00000
P3 P 0.34744 0.63644 0.84293 1.00000
P4 P 0.65256 0.36356 0.15707 1.00000
P5 P 0.11594 0.14012 0.34790 1.00000
P6 P 0.75038 0.29091 0.72022 1.00000
O1 O 0.10410 0.00150 0.66018 1.00000
O2 O 0.68033 0.94281 0.58982 1.00000
O3 O 0.03885 0.73901 0.15071 1.00000
O4 O 0.47559 0.82982 0.27053 1.00000
O5 O 0.36709 0.81227 0.78486 1.00000
O6 O 0.22385 0.73139 0.44465 1.00000
O7 O 0.89109 0.82029 0.82359 1.00000
O8 O 0.84503 0.70878 0.54309 1.00000
O9 O 0.18190 0.60050 0.94877 1.00000
O10 O 0.58780 0.64693 0.95800 1.00000
O11 O 0.25304 0.52711 0.24175 1.00000
O12 O 0.25748 0.50199 0.70659 1.00000
O13 O 0.74252 0.49801 0.29341 1.00000
O14 O 0.74696 0.47289 0.75825 1.00000
O15 O 0.41220 0.35307 0.04200 1.00000
O16 O 0.81810 0.39950 0.05123 1.00000
O17 O 0.15497 0.29122 0.45691 1.00000
O18 O 0.10891 0.17971 0.17641 1.00000
O19 O 0.77615 0.26861 0.55535 1.00000
O20 O 0.63291 0.18773 0.21514 1.00000
O21 O 0.52441 0.17018 0.72947 1.00000
O22 O 0.96115 0.26099 0.84929 1.00000
O23 O 0.31967 0.05719 0.41018 1.00000
O24 O 0.89590 0.99850 0.33982 1.00000
