Li2V3Sn(PO4)6
Alexandria ALEXAlex-ID: agm010986641 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6E24_0_spg146
LiSn2(PO4)3 LiV2(PO4)3
2025-03-01 07:46:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010986641).
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 agm010986641
data_agm010986641
_cell_length_a 8.60380
_cell_length_b 8.60380
_cell_length_c 8.60380
_cell_angle_alpha 60.21516
_cell_angle_beta 60.21516
_cell_angle_gamma 60.21516
_cell_volume 452.54921
_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 0.00589 0.00589 0.00589 1.00000
Li2 Li 0.49992 0.49992 0.49992 1.00000
V1 V 0.14185 0.14185 0.14185 1.00000
V2 V 0.35791 0.35791 0.35791 1.00000
V3 V 0.64115 0.64115 0.64115 1.00000
Sn1 Sn 0.85930 0.85930 0.85930 1.00000
P1 P 0.04214 0.74973 0.45419 1.00000
P2 P 0.45419 0.04214 0.74973 1.00000
P3 P 0.74973 0.45419 0.04214 1.00000
P4 P 0.25495 0.53682 0.95968 1.00000
P5 P 0.53682 0.95968 0.25495 1.00000
P6 P 0.95968 0.25495 0.53682 1.00000
O1 O 0.11810 0.31953 0.49346 1.00000
O2 O 0.31953 0.49346 0.11810 1.00000
O3 O 0.05378 0.92062 0.26683 1.00000
O4 O 0.49346 0.11810 0.31953 1.00000
O5 O 0.01914 0.79547 0.61707 1.00000
O6 O 0.23482 0.58727 0.42665 1.00000
O7 O 0.26683 0.05378 0.92062 1.00000
O8 O 0.42665 0.23482 0.58727 1.00000
O9 O 0.19459 0.37685 0.99561 1.00000
O10 O 0.58727 0.42665 0.23482 1.00000
O11 O 0.08889 0.72839 0.95288 1.00000
O12 O 0.37685 0.99561 0.19459 1.00000
O13 O 0.61707 0.01914 0.79547 1.00000
O14 O 0.92062 0.26683 0.05378 1.00000
O15 O 0.41734 0.55722 0.76590 1.00000
O16 O 0.79547 0.61707 0.01914 1.00000
O17 O 0.55722 0.76590 0.41734 1.00000
O18 O 0.72839 0.95288 0.08889 1.00000
O19 O 0.76590 0.41734 0.55722 1.00000
O20 O 0.99561 0.19459 0.37685 1.00000
O21 O 0.49658 0.87477 0.69670 1.00000
O22 O 0.95288 0.08889 0.72839 1.00000
O23 O 0.69670 0.49658 0.87477 1.00000
O24 O 0.87477 0.69670 0.49658 1.00000
