LiMgV4(PO4)6
Alexandria ALEXAlex-ID: agm010377166 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D6E24_0_spg148
Mg2P2O7 LiV2(PO4)3 MgV2(PO5)2 VP2O7 VPO4
2025-02-27 11:20:47
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010377166).
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 agm010377166
data_agm010377166
_cell_length_a 8.50474
_cell_length_b 8.50474
_cell_length_c 8.50474
_cell_angle_alpha 60.80196
_cell_angle_beta 60.80196
_cell_angle_gamma 60.80196
_cell_volume 442.84618
_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 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.50000 0.50000 0.50000 1.00000
V1 V 0.86032 0.86032 0.86032 1.00000
V2 V 0.64306 0.64306 0.64306 1.00000
V3 V 0.13968 0.13968 0.13968 1.00000
V4 V 0.35694 0.35694 0.35694 1.00000
P1 P 0.24990 0.95638 0.53962 1.00000
P2 P 0.04362 0.46038 0.75010 1.00000
P3 P 0.46038 0.75010 0.04362 1.00000
P4 P 0.53962 0.24990 0.95638 1.00000
P5 P 0.95638 0.53962 0.24990 1.00000
P6 P 0.75010 0.04362 0.46038 1.00000
O1 O 0.08830 0.93965 0.73437 1.00000
O2 O 0.18819 0.99651 0.37778 1.00000
O3 O 0.26563 0.91170 0.06035 1.00000
O4 O 0.11566 0.50156 0.31413 1.00000
O5 O 0.41385 0.76039 0.55326 1.00000
O6 O 0.23961 0.44674 0.58615 1.00000
O7 O 0.06035 0.26563 0.91170 1.00000
O8 O 0.81181 0.00349 0.62222 1.00000
O9 O 0.49844 0.68587 0.88434 1.00000
O10 O 0.62222 0.81181 0.00349 1.00000
O11 O 0.68587 0.88434 0.49844 1.00000
O12 O 0.44674 0.58615 0.23961 1.00000
O13 O 0.55326 0.41385 0.76039 1.00000
O14 O 0.31413 0.11566 0.50156 1.00000
O15 O 0.37778 0.18819 0.99651 1.00000
O16 O 0.50156 0.31413 0.11566 1.00000
O17 O 0.93965 0.73437 0.08830 1.00000
O18 O 0.76039 0.55326 0.41385 1.00000
O19 O 0.58615 0.23961 0.44674 1.00000
O20 O 0.88434 0.49844 0.68587 1.00000
O21 O 0.00349 0.62222 0.81181 1.00000
O22 O 0.99651 0.37778 0.18819 1.00000
O23 O 0.73437 0.08830 0.93965 1.00000
O24 O 0.91170 0.06035 0.26563 1.00000
