FePO4
Alexandria ALEXAlex-ID: agm005271902 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1044_spg14
FePO4
2023-05-10 03:41:24.104367
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005271902).
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 agm005271902
data_agm005271902
_cell_length_a 10.17448
_cell_length_b 5.35842
_cell_length_c 10.10124
_cell_angle_alpha 54.94032
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 450.78654
_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 0.82188 0.72925 0.04006 1.00000
Fe2 Fe 0.32188 0.27075 0.45994 1.00000
Fe3 Fe 0.17812 0.27075 0.95994 1.00000
Fe4 Fe 0.67812 0.72925 0.54006 1.00000
P1 P 0.88289 0.47031 0.82892 1.00000
P2 P 0.38289 0.52969 0.67108 1.00000
P3 P 0.11711 0.52969 0.17108 1.00000
P4 P 0.61711 0.47031 0.32892 1.00000
O1 O 0.66603 0.56550 0.16153 1.00000
O2 O 0.34046 0.85974 0.53788 1.00000
O3 O 0.84046 0.14026 0.96212 1.00000
O4 O 0.96537 0.50534 0.17655 1.00000
O5 O 0.16603 0.43450 0.33847 1.00000
O6 O 0.65954 0.14026 0.46212 1.00000
O7 O 0.53463 0.50534 0.67655 1.00000
O8 O 0.46537 0.49466 0.32345 1.00000
O9 O 0.82234 0.68764 0.86703 1.00000
O10 O 0.33397 0.43450 0.83847 1.00000
O11 O 0.15954 0.85974 0.03788 1.00000
O12 O 0.32234 0.31236 0.63297 1.00000
O13 O 0.17766 0.31236 0.13297 1.00000
O14 O 0.67766 0.68764 0.36703 1.00000
O15 O 0.03463 0.49466 0.82345 1.00000
O16 O 0.83397 0.56550 0.66153 1.00000
