LiV2(PO4)3
Alexandria ALEXAlex-ID: agm003243233 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_8_spg2
LiV2(PO4)3
2021-12-28 06:31:23.672642
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003243233).
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 agm003243233
data_agm003243233
_cell_length_a 8.87573
_cell_length_b 8.44665
_cell_length_c 8.52345
_cell_angle_alpha 119.92812
_cell_angle_beta 90.26354
_cell_angle_gamma 60.54945
_cell_volume 457.04713
_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 0.09293 0.94605 0.18279 1.00000
Li2 Li 0.90707 0.05395 0.81721 1.00000
V1 V 0.06741 0.28527 0.64334 1.00000
V2 V 0.56913 0.27589 0.13909 1.00000
V3 V 0.43087 0.72411 0.86091 1.00000
V4 V 0.93259 0.71473 0.35666 1.00000
P1 P 0.25756 0.21626 0.25778 1.00000
P2 P 0.24623 0.50653 0.97311 1.00000
P3 P 0.24617 0.78613 0.54037 1.00000
P4 P 0.75383 0.21387 0.45963 1.00000
P5 P 0.75377 0.49347 0.02689 1.00000
P6 P 0.74244 0.78374 0.74222 1.00000
O1 O 0.10758 0.41768 0.25856 1.00000
O2 O 0.21877 0.26178 0.45603 1.00000
O3 O 0.19651 0.35939 0.82422 1.00000
O4 O 0.09288 0.69212 0.17038 1.00000
O5 O 0.06406 0.80224 0.54440 1.00000
O6 O 0.44543 0.16794 0.19654 1.00000
O7 O 0.27417 0.64283 0.92053 1.00000
O8 O 0.42321 0.35625 0.99708 1.00000
O9 O 0.22610 0.97932 0.53901 1.00000
O10 O 0.26655 0.82360 0.73450 1.00000
O11 O 0.41144 0.57038 0.37276 1.00000
O12 O 0.25111 0.01632 0.10887 1.00000
O13 O 0.74889 0.98368 0.89113 1.00000
O14 O 0.58856 0.42962 0.62724 1.00000
O15 O 0.73345 0.17640 0.26550 1.00000
O16 O 0.77390 0.02068 0.46099 1.00000
O17 O 0.57679 0.64375 0.00292 1.00000
O18 O 0.72583 0.35717 0.07947 1.00000
O19 O 0.55457 0.83206 0.80346 1.00000
O20 O 0.93594 0.19776 0.45560 1.00000
O21 O 0.90712 0.30788 0.82962 1.00000
O22 O 0.80349 0.64061 0.17578 1.00000
O23 O 0.78123 0.73822 0.54397 1.00000
O24 O 0.89242 0.58232 0.74144 1.00000
