LiV2(PO4)3
Alexandria ALEXAlex-ID: agm005289196 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_18_spg15
LiV2(PO4)3
2024-10-16 00:31:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005289196).
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 agm005289196
data_agm005289196
_cell_length_a 8.68251
_cell_length_b 8.68251
_cell_length_c 6.35019
_cell_angle_alpha 74.02011
_cell_angle_beta 74.02011
_cell_angle_gamma 92.27211
_cell_volume 438.96913
_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 0.50000 0.50000 0.50000 1.00000
Li2 Li 0.50000 0.50000 0.00000 1.00000
V1 V 0.62459 0.94075 0.63902 1.00000
V2 V 0.94075 0.62459 0.13902 1.00000
V3 V 0.05925 0.37541 0.86098 1.00000
V4 V 0.37541 0.05925 0.36098 1.00000
P1 P 0.27775 0.72225 0.75000 1.00000
P2 P 0.64325 0.83566 0.15470 1.00000
P3 P 0.83566 0.64325 0.65470 1.00000
P4 P 0.16434 0.35675 0.34530 1.00000
P5 P 0.35675 0.16434 0.84530 1.00000
P6 P 0.72225 0.27775 0.25000 1.00000
O1 O 0.63479 0.95126 0.92295 1.00000
O2 O 0.58984 0.93941 0.32963 1.00000
O3 O 0.26142 0.85276 0.53477 1.00000
O4 O 0.14724 0.73858 0.96523 1.00000
O5 O 0.80672 0.82278 0.62648 1.00000
O6 O 0.45026 0.74990 0.77045 1.00000
O7 O 0.82278 0.80672 0.12648 1.00000
O8 O 0.93941 0.58984 0.82963 1.00000
O9 O 0.53390 0.68139 0.23406 1.00000
O10 O 0.25010 0.54974 0.72955 1.00000
O11 O 0.95126 0.63479 0.42295 1.00000
O12 O 0.68139 0.53390 0.73406 1.00000
O13 O 0.31861 0.46610 0.26594 1.00000
O14 O 0.04874 0.36521 0.57705 1.00000
O15 O 0.74990 0.45026 0.27045 1.00000
O16 O 0.46610 0.31861 0.76594 1.00000
O17 O 0.06059 0.41016 0.17037 1.00000
O18 O 0.17722 0.19328 0.87352 1.00000
O19 O 0.54974 0.25010 0.22955 1.00000
O20 O 0.19328 0.17722 0.37352 1.00000
O21 O 0.85276 0.26142 0.03477 1.00000
O22 O 0.73858 0.14724 0.46523 1.00000
O23 O 0.41016 0.06059 0.67037 1.00000
O24 O 0.36521 0.04874 0.07705 1.00000
