LiFe(PO3)4
Alexandria ALEXAlex-ID: agm005221894 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_29_spg4
LiFe(PO3)4
2024-10-16 00:37:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005221894).
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 agm005221894
data_agm005221894
_cell_length_a 8.54534
_cell_length_b 7.41965
_cell_length_c 7.57650
_cell_angle_alpha 88.24119
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 480.15022
_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 0.71964 0.71312 0.48828 1.00000
Li2 Li 0.21964 0.28688 0.51172 1.00000
Fe1 Fe 0.48903 0.74241 0.85055 1.00000
Fe2 Fe 0.98903 0.25759 0.14945 1.00000
P1 P 0.30460 0.89789 0.49120 1.00000
P2 P 0.86730 0.93230 0.86624 1.00000
P3 P 0.07900 0.63563 0.33456 1.00000
P4 P 0.10645 0.63604 0.94820 1.00000
P5 P 0.60645 0.36396 0.05180 1.00000
P6 P 0.57900 0.36437 0.66544 1.00000
P7 P 0.36730 0.06770 0.13376 1.00000
P8 P 0.80460 0.10211 0.50880 1.00000
O1 O 0.39537 0.94679 0.30817 1.00000
O2 O 0.41384 0.95459 0.98176 1.00000
O3 O 0.92699 0.69661 0.40369 1.00000
O4 O 0.68802 0.96386 0.46575 1.00000
O5 O 0.70759 0.84904 0.86985 1.00000
O6 O 0.22584 0.70621 0.44357 1.00000
O7 O 0.43036 0.84946 0.62255 1.00000
O8 O 0.99415 0.77354 0.84041 1.00000
O9 O 0.11346 0.72443 0.13917 1.00000
O10 O 0.26385 0.64156 0.86099 1.00000
O11 O 0.10781 0.43364 0.32369 1.00000
O12 O 0.53038 0.54810 0.03935 1.00000
O13 O 0.03038 0.45190 0.96065 1.00000
O14 O 0.60781 0.56636 0.67631 1.00000
O15 O 0.76385 0.35844 0.13901 1.00000
O16 O 0.61346 0.27557 0.86083 1.00000
O17 O 0.49415 0.22646 0.15959 1.00000
O18 O 0.93036 0.15054 0.37745 1.00000
O19 O 0.72584 0.29379 0.55643 1.00000
O20 O 0.20759 0.15096 0.13015 1.00000
O21 O 0.18802 0.03614 0.53425 1.00000
O22 O 0.42699 0.30339 0.59631 1.00000
O23 O 0.91384 0.04541 0.01824 1.00000
O24 O 0.89537 0.05321 0.69183 1.00000
