LiFe(PO3)4
Alexandria ALEXAlex-ID: agm005272085 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_2_spg15
LiFe(PO3)4
2024-10-16 00:08:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005272085).
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 agm005272085
data_agm005272085
_cell_length_a 9.87678
_cell_length_b 9.87678
_cell_length_c 11.51457
_cell_angle_alpha 39.11390
_cell_angle_beta 39.11390
_cell_angle_gamma 50.23778
_cell_volume 445.04528
_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 0.71557 0.28443 0.75000 1.00000
Li2 Li 0.28443 0.71557 0.25000 1.00000
Fe1 Fe 0.50000 0.50000 0.00000 1.00000
Fe2 Fe 0.50000 0.50000 0.50000 1.00000
P1 P 0.79515 0.76814 0.96439 1.00000
P2 P 0.23186 0.20485 0.53561 1.00000
P3 P 0.49624 0.01533 0.68214 1.00000
P4 P 0.76814 0.79515 0.46439 1.00000
P5 P 0.20485 0.23186 0.03561 1.00000
P6 P 0.50376 0.98467 0.31786 1.00000
P7 P 0.98467 0.50376 0.81786 1.00000
P8 P 0.01533 0.49624 0.18214 1.00000
O1 O 0.98735 0.68918 0.98026 1.00000
O2 O 0.45949 0.80599 0.38569 1.00000
O3 O 0.54051 0.19401 0.61431 1.00000
O4 O 0.61339 0.61987 0.69690 1.00000
O5 O 0.68918 0.98735 0.48026 1.00000
O6 O 0.00171 0.74183 0.35260 1.00000
O7 O 0.79821 0.46537 0.40156 1.00000
O8 O 0.61987 0.61339 0.19690 1.00000
O9 O 0.71688 0.91672 0.29560 1.00000
O10 O 0.25817 0.99829 0.14740 1.00000
O11 O 0.08328 0.28312 0.20440 1.00000
O12 O 0.01265 0.31082 0.01974 1.00000
O13 O 0.19401 0.54051 0.11431 1.00000
O14 O 0.53463 0.20179 0.09844 1.00000
O15 O 0.31082 0.01265 0.51974 1.00000
O16 O 0.80599 0.45949 0.88569 1.00000
O17 O 0.46537 0.79821 0.90156 1.00000
O18 O 0.91672 0.71688 0.79560 1.00000
O19 O 0.74183 0.00171 0.85260 1.00000
O20 O 0.28312 0.08328 0.70440 1.00000
O21 O 0.38013 0.38661 0.80310 1.00000
O22 O 0.20179 0.53463 0.59844 1.00000
O23 O 0.99829 0.25817 0.64740 1.00000
O24 O 0.38661 0.38013 0.30310 1.00000
