LiMn(PO3)4
Alexandria ALEXAlex-ID: agm005287944 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_7_spg15
LiMn(PO3)4
2024-10-16 01:02:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005287944).
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 agm005287944
data_agm005287944
_cell_length_a 8.99104
_cell_length_b 8.99104
_cell_length_c 10.56218
_cell_angle_alpha 57.47766
_cell_angle_beta 57.47766
_cell_angle_gamma 47.23137
_cell_volume 507.55550
_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 0.62315 0.37685 0.25000 1.00000
Li2 Li 0.37685 0.62315 0.75000 1.00000
Mn1 Mn 0.00000 0.00000 0.50000 1.00000
Mn2 Mn 0.00000 0.00000 0.00000 1.00000
P1 P 0.46070 0.27590 0.09153 1.00000
P2 P 0.05308 0.64611 0.19805 1.00000
P3 P 0.35389 0.94692 0.30195 1.00000
P4 P 0.72410 0.53930 0.40847 1.00000
P5 P 0.27590 0.46070 0.59153 1.00000
P6 P 0.64611 0.05308 0.69805 1.00000
P7 P 0.94692 0.35389 0.80195 1.00000
P8 P 0.53930 0.72410 0.90847 1.00000
O1 O 0.00047 0.74701 0.04387 1.00000
O2 O 0.65558 0.16303 0.13548 1.00000
O3 O 0.39774 0.11126 0.15004 1.00000
O4 O 0.26468 0.42012 0.21278 1.00000
O5 O 0.55460 0.60313 0.07013 1.00000
O6 O 0.57988 0.73532 0.28722 1.00000
O7 O 0.88874 0.60226 0.34996 1.00000
O8 O 0.19344 0.93903 0.29495 1.00000
O9 O 0.83697 0.34442 0.36452 1.00000
O10 O 0.06097 0.80656 0.20505 1.00000
O11 O 0.25299 0.99953 0.45613 1.00000
O12 O 0.39687 0.44540 0.42987 1.00000
O13 O 0.60313 0.55460 0.57013 1.00000
O14 O 0.74701 0.00047 0.54387 1.00000
O15 O 0.93903 0.19344 0.79495 1.00000
O16 O 0.16303 0.65558 0.63548 1.00000
O17 O 0.80656 0.06097 0.70505 1.00000
O18 O 0.11126 0.39774 0.65004 1.00000
O19 O 0.42012 0.26468 0.71278 1.00000
O20 O 0.44540 0.39687 0.92987 1.00000
O21 O 0.73532 0.57988 0.78722 1.00000
O22 O 0.60226 0.88874 0.84996 1.00000
O23 O 0.34442 0.83697 0.86452 1.00000
O24 O 0.99953 0.25299 0.95613 1.00000
