LiV2(PO4)3
Alexandria ALEXAlex-ID: agm005290600 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_42_spg15
LiV2(PO4)3
2024-10-16 00:47:53
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005290600).
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 agm005290600
data_agm005290600
_cell_length_a 9.51475
_cell_length_b 9.51475
_cell_length_c 8.06864
_cell_angle_alpha 74.53758
_cell_angle_beta 74.53758
_cell_angle_gamma 37.49911
_cell_volume 426.67774
_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 0.50047 0.49953 0.75000 1.00000
Li2 Li 0.49953 0.50047 0.25000 1.00000
V1 V 0.04198 0.68931 0.59479 1.00000
V2 V 0.68931 0.04198 0.09479 1.00000
V3 V 0.31069 0.95802 0.90521 1.00000
V4 V 0.95802 0.31069 0.40521 1.00000
P1 P 0.51065 0.13528 0.72612 1.00000
P2 P 0.13528 0.51065 0.22612 1.00000
P3 P 0.86472 0.48935 0.77388 1.00000
P4 P 0.48935 0.86472 0.27388 1.00000
P5 P 0.96828 0.03172 0.75000 1.00000
P6 P 0.03172 0.96828 0.25000 1.00000
O1 O 0.77838 0.15942 0.90341 1.00000
O2 O 0.15942 0.77838 0.40341 1.00000
O3 O 0.06580 0.80506 0.73487 1.00000
O4 O 0.80506 0.06580 0.23487 1.00000
O5 O 0.35755 0.39176 0.67120 1.00000
O6 O 0.72266 0.99930 0.59059 1.00000
O7 O 0.58218 0.07032 0.91206 1.00000
O8 O 0.39176 0.35755 0.17120 1.00000
O9 O 0.99930 0.72266 0.09059 1.00000
O10 O 0.91766 0.60724 0.76340 1.00000
O11 O 0.07032 0.58218 0.41206 1.00000
O12 O 0.60724 0.91766 0.26340 1.00000
O13 O 0.39276 0.08234 0.73660 1.00000
O14 O 0.92968 0.41782 0.58794 1.00000
O15 O 0.08234 0.39276 0.23660 1.00000
O16 O 0.00070 0.27734 0.90941 1.00000
O17 O 0.60824 0.64245 0.82880 1.00000
O18 O 0.41782 0.92968 0.08794 1.00000
O19 O 0.27734 0.00070 0.40941 1.00000
O20 O 0.64245 0.60824 0.32880 1.00000
O21 O 0.19494 0.93420 0.76513 1.00000
O22 O 0.93420 0.19494 0.26513 1.00000
O23 O 0.84058 0.22162 0.59659 1.00000
O24 O 0.22162 0.84058 0.09659 1.00000
