POF
Alexandria ALEXAlex-ID: agm005692706 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_99_spg129
P2O3F4 P2O5 P
2023-06-18 05:57:38.989425
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692706).
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 agm005692706
data_agm005692706
_cell_length_a 4.87866
_cell_length_b 10.77144
_cell_length_c 8.10272
_cell_angle_alpha 137.71371
_cell_angle_beta 55.45582
_cell_angle_gamma 154.86891
_cell_volume 113.53748
_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
P1 P 0.48637 0.83343 0.21166 1.00000
P2 P 0.51363 0.16657 0.78834 1.00000
O1 O 0.31122 0.61249 0.89016 1.00000
O2 O 0.68878 0.38751 0.10984 1.00000
F1 F 0.94269 0.91443 0.24374 1.00000
F2 F 0.05731 0.08557 0.75626 1.00000
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