AlFeCo(P2O7)2
Alexandria ALEXAlex-ID: agm011024147 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4E14_10_spg1
Co3(PO4)2 Fe(PO3)3 FePO4 AlPO4
2024-05-04 20:28:48.400679
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm011024147).
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 agm011024147
data_agm011024147
_cell_length_a 4.97926
_cell_length_b 7.07864
_cell_length_c 8.01878
_cell_angle_alpha 90.74199
_cell_angle_beta 93.62282
_cell_angle_gamma 108.88078
_cell_volume 266.72431
_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
Al1 Al 0.46327 0.69464 0.04015 1.00000
Fe1 Fe 0.49257 0.27892 0.48675 1.00000
Co1 Co 0.71549 0.16233 0.85938 1.00000
P1 P 0.87733 0.48420 0.18267 1.00000
P2 P 0.15805 0.92258 0.78243 1.00000
P3 P 0.85643 0.07773 0.26938 1.00000
P4 P 0.14051 0.51871 0.68887 1.00000
O1 O 0.17218 0.13821 0.32116 1.00000
O2 O 0.35035 0.10768 0.69771 1.00000
O3 O 0.70365 0.54163 0.04091 1.00000
O4 O 0.75628 0.48015 0.35177 1.00000
O5 O 0.83309 0.37011 0.68505 1.00000
O6 O 0.67638 0.08760 0.41287 1.00000
O7 O 0.82730 0.24554 0.12561 1.00000
O8 O 0.10711 0.73560 0.65567 1.00000
O9 O 0.34723 0.90038 0.93846 1.00000
O10 O 0.19544 0.59531 0.18720 1.00000
O11 O 0.27282 0.52443 0.86515 1.00000
O12 O 0.31455 0.47762 0.55406 1.00000
O13 O 0.74170 0.88358 0.16777 1.00000
O14 O 0.87348 0.93986 0.82021 1.00000
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