Li2Fe(PO4)2
Alexandria ALEXAlex-ID: agm005267730 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D8_32_spg8
Li3Fe2(PO4)3 LiFeP2O7 FePO6 Li3PO4
2023-05-06 13:28:49.991813
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005267730).
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 agm005267730
data_agm005267730
_cell_length_a 4.89405
_cell_length_b 4.89405
_cell_length_c 6.39108
_cell_angle_alpha 89.21348
_cell_angle_beta 89.21348
_cell_angle_gamma 66.22081
_cell_volume 140.06345
_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 0.50555 0.50555 0.51492 1.00000
Li2 Li 0.17467 0.17467 0.25814 1.00000
Fe1 Fe 0.50251 0.50251 0.99282 1.00000
P1 P 0.85065 0.85065 0.24226 1.00000
P2 P 0.14613 0.14613 0.76108 1.00000
O1 O 0.73236 0.20005 0.23036 1.00000
O2 O 0.73528 0.73528 0.05512 1.00000
O3 O 0.75339 0.75339 0.44847 1.00000
O4 O 0.79950 0.27399 0.77022 1.00000
O5 O 0.27399 0.79950 0.77022 1.00000
O6 O 0.24276 0.24276 0.55149 1.00000
O7 O 0.20005 0.73236 0.23036 1.00000
O8 O 0.26062 0.26062 0.95333 1.00000
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