LiV3Sb(PO4)6
Alexandria ALEXAlex-ID: agm010693060 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D6E24_0_spg146
VSb(PO4)3 LiV2(PO4)3
2025-02-03 14:33:52
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010693060).
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 agm010693060
data_agm010693060
_cell_length_a 8.65730
_cell_length_b 8.65730
_cell_length_c 8.65730
_cell_angle_alpha 59.68539
_cell_angle_beta 59.68539
_cell_angle_gamma 59.68539
_cell_volume 455.53115
_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 0.99081 0.99081 0.99081 1.00000
V1 V 0.85652 0.85652 0.85652 1.00000
V2 V 0.63929 0.63929 0.63929 1.00000
V3 V 0.36203 0.36203 0.36203 1.00000
Sb1 Sb 0.14291 0.14291 0.14291 1.00000
P1 P 0.24986 0.96423 0.54460 1.00000
P2 P 0.96423 0.54460 0.24986 1.00000
P3 P 0.54460 0.24986 0.96423 1.00000
P4 P 0.46237 0.74956 0.03482 1.00000
P5 P 0.03482 0.46237 0.74956 1.00000
P6 P 0.74956 0.03482 0.46237 1.00000
O1 O 0.71187 0.86623 0.49216 1.00000
O2 O 0.49216 0.71187 0.86623 1.00000
O3 O 0.07958 0.94057 0.73145 1.00000
O4 O 0.86623 0.49216 0.71187 1.00000
O5 O 0.41996 0.78061 0.56144 1.00000
O6 O 0.20414 0.98714 0.37885 1.00000
O7 O 0.94057 0.73145 0.07958 1.00000
O8 O 0.78061 0.56144 0.41996 1.00000
O9 O 0.56144 0.41996 0.78061 1.00000
O10 O 0.62083 0.80802 0.00153 1.00000
O11 O 0.26664 0.91896 0.05745 1.00000
O12 O 0.00153 0.62083 0.80802 1.00000
O13 O 0.98714 0.37885 0.20414 1.00000
O14 O 0.73145 0.07958 0.94057 1.00000
O15 O 0.37885 0.20414 0.98714 1.00000
O16 O 0.44369 0.58106 0.21999 1.00000
O17 O 0.21999 0.44369 0.58106 1.00000
O18 O 0.05745 0.26664 0.91896 1.00000
O19 O 0.80802 0.00153 0.62083 1.00000
O20 O 0.58106 0.21999 0.44369 1.00000
O21 O 0.13697 0.50669 0.28667 1.00000
O22 O 0.91896 0.05745 0.26664 1.00000
O23 O 0.50669 0.28667 0.13697 1.00000
O24 O 0.28667 0.13697 0.50669 1.00000
