FeP2O7
Alexandria ALEXAlex-ID: agm005235322 · Space group: P2_1 (#4)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_8_spg4
Fe(PO3)3 FePO4 FePO6
2023-05-08 13:58:14.675384
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005235322).
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 agm005235322
data_agm005235322
_cell_length_a 8.32999
_cell_length_b 5.02323
_cell_length_c 6.98762
_cell_angle_alpha 74.51829
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 281.77751
_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 0.99104 0.78917 0.22890 1.00000
Fe2 Fe 0.49104 0.21083 0.77110 1.00000
P1 P 0.22652 0.25435 0.39164 1.00000
P2 P 0.72652 0.74565 0.60836 1.00000
P3 P 0.80799 0.37668 0.99296 1.00000
P4 P 0.30799 0.62332 0.00704 1.00000
O1 O 0.08766 0.44616 0.41274 1.00000
O2 O 0.16026 0.01394 0.31982 1.00000
O3 O 0.66026 0.98606 0.68018 1.00000
O4 O 0.32626 0.15531 0.57749 1.00000
O5 O 0.92947 0.14058 0.02849 1.00000
O6 O 0.63642 0.27420 0.98869 1.00000
O7 O 0.33000 0.45524 0.85616 1.00000
O8 O 0.58766 0.55384 0.58726 1.00000
O9 O 0.42947 0.85942 0.97151 1.00000
O10 O 0.34943 0.42681 0.22492 1.00000
O11 O 0.82626 0.84469 0.42251 1.00000
O12 O 0.83000 0.54476 0.14384 1.00000
O13 O 0.13642 0.72580 0.01131 1.00000
O14 O 0.84943 0.57319 0.77508 1.00000
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