LiMnV3Fe(PO4)6
Alexandria ALEXAlex-ID: agm010397682 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD3E6F24_1_spg146
LiMnV3Fe(PO4)6
2025-02-07 09:19:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010397682).
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 agm010397682
data_agm010397682
_cell_length_a 8.58512
_cell_length_b 8.58512
_cell_length_c 8.58512
_cell_angle_alpha 60.18546
_cell_angle_beta 60.18546
_cell_angle_gamma 60.18546
_cell_volume 449.30822
_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 0.99979 0.99979 0.99979 1.00000
Mn1 Mn 0.50079 0.50079 0.50079 1.00000
V1 V 0.14081 0.14081 0.14081 1.00000
V2 V 0.35520 0.35520 0.35520 1.00000
V3 V 0.85902 0.85902 0.85902 1.00000
Fe1 Fe 0.64499 0.64499 0.64499 1.00000
P1 P 0.04227 0.74979 0.45998 1.00000
P2 P 0.53974 0.95845 0.24750 1.00000
P3 P 0.24750 0.53974 0.95845 1.00000
P4 P 0.74979 0.45998 0.04227 1.00000
P5 P 0.45998 0.04227 0.74979 1.00000
P6 P 0.95845 0.24750 0.53974 1.00000
O1 O 0.06640 0.91366 0.26661 1.00000
O2 O 0.00711 0.80341 0.62493 1.00000
O3 O 0.08331 0.73302 0.94334 1.00000
O4 O 0.49267 0.88341 0.69434 1.00000
O5 O 0.23652 0.58157 0.44342 1.00000
O6 O 0.55068 0.76738 0.41337 1.00000
O7 O 0.73302 0.94334 0.08331 1.00000
O8 O 0.00226 0.18402 0.37960 1.00000
O9 O 0.30802 0.50189 0.12047 1.00000
O10 O 0.18402 0.37960 0.00226 1.00000
O11 O 0.12047 0.30802 0.50189 1.00000
O12 O 0.41337 0.55068 0.76738 1.00000
O13 O 0.58157 0.44342 0.23652 1.00000
O14 O 0.88341 0.69434 0.49267 1.00000
O15 O 0.80341 0.62493 0.00711 1.00000
O16 O 0.69434 0.49267 0.88341 1.00000
O17 O 0.26661 0.06640 0.91366 1.00000
O18 O 0.44342 0.23652 0.58157 1.00000
O19 O 0.76738 0.41337 0.55068 1.00000
O20 O 0.50189 0.12047 0.30802 1.00000
O21 O 0.37960 0.00226 0.18402 1.00000
O22 O 0.62493 0.00711 0.80341 1.00000
O23 O 0.91366 0.26661 0.06640 1.00000
O24 O 0.94334 0.08331 0.73302 1.00000
