LiMn(PO3)4
Alexandria ALEXAlex-ID: agm005222679 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_89_spg15
LiMn(PO3)4
2024-10-16 02:31:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005222679).
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 agm005222679
data_agm005222679
_cell_length_a 8.24090
_cell_length_b 8.24090
_cell_length_c 9.86266
_cell_angle_alpha 68.33982
_cell_angle_beta 68.33982
_cell_angle_gamma 57.52884
_cell_volume 512.54848
_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 0.50000 1.00000
Li2 Li 0.00000 0.00000 0.00000 1.00000
Mn1 Mn 0.39930 0.60070 0.75000 1.00000
Mn2 Mn 0.60070 0.39930 0.25000 1.00000
P1 P 0.30366 0.39454 0.09581 1.00000
P2 P 0.66293 0.02024 0.15390 1.00000
P3 P 0.97976 0.33707 0.34610 1.00000
P4 P 0.60546 0.69634 0.40419 1.00000
P5 P 0.39454 0.30366 0.59581 1.00000
P6 P 0.02024 0.66293 0.65390 1.00000
P7 P 0.33707 0.97976 0.84610 1.00000
P8 P 0.69634 0.60546 0.90419 1.00000
O1 O 0.73766 0.14385 0.16973 1.00000
O2 O 0.28002 0.48196 0.93527 1.00000
O3 O 0.09583 0.40183 0.18215 1.00000
O4 O 0.45023 0.16278 0.11003 1.00000
O5 O 0.64044 0.50986 0.83737 1.00000
O6 O 0.83722 0.54977 0.38997 1.00000
O7 O 0.59817 0.90417 0.31785 1.00000
O8 O 0.10892 0.19267 0.45340 1.00000
O9 O 0.51804 0.71998 0.56473 1.00000
O10 O 0.80733 0.89108 0.04660 1.00000
O11 O 0.85615 0.26234 0.33027 1.00000
O12 O 0.49014 0.35956 0.66263 1.00000
O13 O 0.50986 0.64044 0.33737 1.00000
O14 O 0.14385 0.73766 0.66973 1.00000
O15 O 0.19267 0.10892 0.95340 1.00000
O16 O 0.48196 0.28002 0.43527 1.00000
O17 O 0.89108 0.80733 0.54660 1.00000
O18 O 0.40183 0.09583 0.68215 1.00000
O19 O 0.16278 0.45023 0.61003 1.00000
O20 O 0.35956 0.49014 0.16263 1.00000
O21 O 0.54977 0.83722 0.88997 1.00000
O22 O 0.90417 0.59817 0.81785 1.00000
O23 O 0.71998 0.51804 0.06473 1.00000
O24 O 0.26234 0.85615 0.83027 1.00000
