Li2MnV3(PO4)6
Alexandria ALEXAlex-ID: agm010965984 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6E24_0_spg146
LiV2(PO4)3 VPO5 LiMnP2O7
2025-02-05 13:31:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010965984).
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 agm010965984
data_agm010965984
_cell_length_a 8.51182
_cell_length_b 8.51182
_cell_length_c 8.51182
_cell_angle_alpha 60.34560
_cell_angle_beta 60.34560
_cell_angle_gamma 60.34560
_cell_volume 439.47576
_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 0.99840 0.99840 0.99840 1.00000
Li2 Li 0.49926 0.49926 0.49926 1.00000
Mn1 Mn 0.85871 0.85871 0.85871 1.00000
V1 V 0.35880 0.35880 0.35880 1.00000
V2 V 0.14003 0.14003 0.14003 1.00000
V3 V 0.63982 0.63982 0.63982 1.00000
P1 P 0.46338 0.03860 0.74856 1.00000
P2 P 0.74856 0.46338 0.03860 1.00000
P3 P 0.03860 0.74856 0.46338 1.00000
P4 P 0.95932 0.24604 0.54194 1.00000
P5 P 0.24604 0.54194 0.95932 1.00000
P6 P 0.54194 0.95932 0.24604 1.00000
O1 O 0.69060 0.49871 0.87618 1.00000
O2 O 0.87618 0.69060 0.49871 1.00000
O3 O 0.49871 0.87618 0.69060 1.00000
O4 O 0.27123 0.05299 0.91730 1.00000
O5 O 0.43988 0.23341 0.58413 1.00000
O6 O 0.63010 0.00928 0.79672 1.00000
O7 O 0.91730 0.27123 0.05299 1.00000
O8 O 0.58413 0.43988 0.23341 1.00000
O9 O 0.23341 0.58413 0.43988 1.00000
O10 O 0.99579 0.19081 0.37728 1.00000
O11 O 0.95037 0.07654 0.73430 1.00000
O12 O 0.19081 0.37728 0.99579 1.00000
O13 O 0.79672 0.63010 0.00928 1.00000
O14 O 0.05299 0.91730 0.27123 1.00000
O15 O 0.00928 0.79672 0.63010 1.00000
O16 O 0.76522 0.41108 0.56161 1.00000
O17 O 0.41108 0.56161 0.76522 1.00000
O18 O 0.07654 0.73430 0.95037 1.00000
O19 O 0.37728 0.99579 0.19081 1.00000
O20 O 0.56161 0.76522 0.41108 1.00000
O21 O 0.73430 0.95037 0.07654 1.00000
O22 O 0.50412 0.12225 0.30521 1.00000
O23 O 0.12225 0.30521 0.50412 1.00000
O24 O 0.30521 0.50412 0.12225 1.00000
