LiMn(PO3)4
Alexandria ALEXAlex-ID: agm005289720 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_2_spg15
LiMn(PO3)4
2024-10-15 23:28:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005289720).
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 agm005289720
data_agm005289720
_cell_length_a 7.22683
_cell_length_b 7.22683
_cell_length_c 10.21267
_cell_angle_alpha 68.57712
_cell_angle_beta 68.57712
_cell_angle_gamma 71.40403
_cell_volume 451.51021
_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 0.02559 0.97441 0.25000 1.00000
Li2 Li 0.97441 0.02559 0.75000 1.00000
Mn1 Mn 0.00000 0.50000 0.50000 1.00000
Mn2 Mn 0.50000 0.00000 0.00000 1.00000
P1 P 0.74019 0.27161 0.02848 1.00000
P2 P 0.69734 0.67989 0.81115 1.00000
P3 P 0.25981 0.72839 0.97152 1.00000
P4 P 0.30266 0.32011 0.18885 1.00000
P5 P 0.27161 0.74019 0.52848 1.00000
P6 P 0.72839 0.25981 0.47152 1.00000
P7 P 0.32011 0.30266 0.68885 1.00000
P8 P 0.67989 0.69734 0.31115 1.00000
O1 O 0.48937 0.79250 0.42819 1.00000
O2 O 0.67917 0.18976 0.93369 1.00000
O3 O 0.80674 0.66554 0.65977 1.00000
O4 O 0.32083 0.81024 0.06631 1.00000
O5 O 0.46706 0.66145 0.84957 1.00000
O6 O 0.09565 0.84839 0.90371 1.00000
O7 O 0.87097 0.69637 0.34373 1.00000
O8 O 0.81024 0.32083 0.56631 1.00000
O9 O 0.20750 0.51063 0.07181 1.00000
O10 O 0.15161 0.90435 0.59629 1.00000
O11 O 0.19326 0.33446 0.34023 1.00000
O12 O 0.66554 0.80674 0.15977 1.00000
O13 O 0.33855 0.53294 0.65043 1.00000
O14 O 0.30363 0.12903 0.15627 1.00000
O15 O 0.69637 0.87097 0.84373 1.00000
O16 O 0.66145 0.46706 0.34957 1.00000
O17 O 0.53294 0.33855 0.15043 1.00000
O18 O 0.51063 0.20750 0.57181 1.00000
O19 O 0.84839 0.09565 0.40371 1.00000
O20 O 0.79250 0.48937 0.92819 1.00000
O21 O 0.18976 0.67917 0.43369 1.00000
O22 O 0.12903 0.30363 0.65627 1.00000
O23 O 0.90435 0.15161 0.09629 1.00000
O24 O 0.33446 0.19326 0.84023 1.00000
