FeP2O7
Alexandria ALEXAlex-ID: agm005228210 · Space group: Cc (#9)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_206_spg9
Fe(PO3)3 FePO4 FePO6
2023-05-08 14:24:30.617004
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005228210).
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 agm005228210
data_agm005228210
_cell_length_a 5.57983
_cell_length_b 5.57983
_cell_length_c 9.10426
_cell_angle_alpha 85.76966
_cell_angle_beta 85.76966
_cell_angle_gamma 105.16868
_cell_volume 271.55725
_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 0.33291 0.67412 0.50031 1.00000
Fe2 Fe 0.67412 0.33291 0.00031 1.00000
P1 P 0.77043 0.82158 0.19447 1.00000
P2 P 0.23599 0.17396 0.30497 1.00000
P3 P 0.82158 0.77043 0.69447 1.00000
P4 P 0.17396 0.23599 0.80497 1.00000
O1 O 0.01655 0.70836 0.58967 1.00000
O2 O 0.71183 0.56388 0.81934 1.00000
O3 O 0.94853 0.00668 0.77572 1.00000
O4 O 0.56388 0.71183 0.31934 1.00000
O5 O 0.28084 0.38275 0.65740 1.00000
O6 O 0.36590 0.13818 0.88496 1.00000
O7 O 0.61403 0.83750 0.61478 1.00000
O8 O 0.83750 0.61403 0.11478 1.00000
O9 O 0.04487 0.37908 0.90973 1.00000
O10 O 0.00668 0.94853 0.27572 1.00000
O11 O 0.37908 0.04487 0.40973 1.00000
O12 O 0.13818 0.36590 0.38496 1.00000
O13 O 0.70836 0.01655 0.08967 1.00000
O14 O 0.38275 0.28084 0.15740 1.00000
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