FePO4
Alexandria ALEXAlex-ID: agm005245095 · Space group: Pc (#7)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_4008_spg7
FePO4
2023-05-10 04:54:13.500671
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005245095).
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 agm005245095
data_agm005245095
_cell_length_a 5.05758
_cell_length_b 8.55503
_cell_length_c 9.23185
_cell_angle_alpha 84.42797
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 397.55384
_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
Fe1 Fe 0.36235 0.88631 0.01699 1.00000
Fe2 Fe 0.87918 0.38979 0.74099 1.00000
Fe3 Fe 0.63765 0.88631 0.51699 1.00000
Fe4 Fe 0.12082 0.38979 0.24099 1.00000
P1 P 0.37168 0.26384 0.93147 1.00000
P2 P 0.12313 0.76169 0.70618 1.00000
P3 P 0.62832 0.26384 0.43147 1.00000
P4 P 0.87687 0.76169 0.20618 1.00000
O1 O 0.08904 0.88674 0.15705 1.00000
O2 O 0.60741 0.37033 0.88136 1.00000
O3 O 0.23275 0.79509 0.85528 1.00000
O4 O 0.16553 0.26094 0.80760 1.00000
O5 O 0.99381 0.59835 0.71714 1.00000
O6 O 0.34958 0.76587 0.59353 1.00000
O7 O 0.91096 0.88674 0.65705 1.00000
O8 O 0.75762 0.32926 0.56374 1.00000
O9 O 0.52598 0.09500 0.47151 1.00000
O10 O 0.39259 0.37033 0.38136 1.00000
O11 O 0.76725 0.79509 0.35528 1.00000
O12 O 0.83447 0.26094 0.30760 1.00000
O13 O 0.00619 0.59835 0.21714 1.00000
O14 O 0.65042 0.76587 0.09353 1.00000
O15 O 0.24238 0.32926 0.06374 1.00000
O16 O 0.47402 0.09500 0.97151 1.00000
