LiMn(PO3)4
Alexandria ALEXAlex-ID: agm003243796 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_64_spg15
LiMn(PO3)4
2021-12-28 07:06:08.113675
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003243796).
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 agm003243796
data_agm003243796
_cell_length_a 9.03851
_cell_length_b 9.03851
_cell_length_c 9.93388
_cell_angle_alpha 55.29594
_cell_angle_beta 55.29594
_cell_angle_gamma 53.90544
_cell_volume 504.57466
_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 0.75306 0.24694 0.25000 1.00000
Li2 Li 0.24694 0.75306 0.75000 1.00000
Mn1 Mn 0.30466 0.69534 0.25000 1.00000
Mn2 Mn 0.69534 0.30466 0.75000 1.00000
P1 P 0.67689 0.06103 0.11938 1.00000
P2 P 0.29089 0.41604 0.15666 1.00000
P3 P 0.58396 0.70911 0.34334 1.00000
P4 P 0.93897 0.32311 0.38062 1.00000
P5 P 0.06103 0.67689 0.61938 1.00000
P6 P 0.41604 0.29089 0.65666 1.00000
P7 P 0.70911 0.58396 0.84334 1.00000
P8 P 0.32311 0.93897 0.88062 1.00000
O1 O 0.21263 0.56446 0.01373 1.00000
O2 O 0.45943 0.21978 0.10991 1.00000
O3 O 0.72459 0.04773 0.24589 1.00000
O4 O 0.66752 0.86523 0.16328 1.00000
O5 O 0.18854 0.89129 0.07513 1.00000
O6 O 0.13477 0.33248 0.33672 1.00000
O7 O 0.95227 0.27541 0.25411 1.00000
O8 O 0.53370 0.62471 0.28404 1.00000
O9 O 0.37529 0.46630 0.21596 1.00000
O10 O 0.78022 0.54057 0.39009 1.00000
O11 O 0.43554 0.78737 0.48627 1.00000
O12 O 0.10871 0.81146 0.42487 1.00000
O13 O 0.89129 0.18854 0.57513 1.00000
O14 O 0.56446 0.21263 0.51373 1.00000
O15 O 0.21978 0.45943 0.60991 1.00000
O16 O 0.62471 0.53370 0.78404 1.00000
O17 O 0.46630 0.37529 0.71596 1.00000
O18 O 0.04773 0.72459 0.74589 1.00000
O19 O 0.86523 0.66752 0.66328 1.00000
O20 O 0.81146 0.10871 0.92487 1.00000
O21 O 0.33248 0.13477 0.83672 1.00000
O22 O 0.27541 0.95227 0.75411 1.00000
O23 O 0.54057 0.78022 0.89009 1.00000
O24 O 0.78737 0.43554 0.98627 1.00000
