Fe4O13
Alexandria ALEXAlex-ID: agm005238929 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B13_7_spg71
FeO4 Fe2O3
2023-05-07 12:24:16.524419
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005238929).
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 agm005238929
data_agm005238929
_cell_length_a 6.29611
_cell_length_b 6.29611
_cell_length_c 6.29611
_cell_angle_alpha 101.50528
_cell_angle_beta 119.18562
_cell_angle_gamma 108.23416
_cell_volume 187.37892
_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 0.50000 0.00000 0.00000 1.00000
Fe2 Fe 0.50000 0.50000 0.50000 1.00000
Fe3 Fe 0.00000 0.00000 0.50000 1.00000
Fe4 Fe 0.00000 0.50000 0.00000 1.00000
O1 O 0.40311 0.79379 0.60932 1.00000
O2 O 0.59689 0.20621 0.39068 1.00000
O3 O 0.81554 0.20621 0.60932 1.00000
O4 O 0.18446 0.79379 0.39068 1.00000
O5 O 0.61168 0.30430 0.91598 1.00000
O6 O 0.38832 0.30430 0.69262 1.00000
O7 O 0.61168 0.69570 0.30738 1.00000
O8 O 0.38832 0.69570 0.08402 1.00000
O9 O 0.86175 0.04213 0.18038 1.00000
O10 O 0.13825 0.31863 0.18038 1.00000
O11 O 0.13825 0.95787 0.81962 1.00000
O12 O 0.86175 0.68137 0.81962 1.00000
O13 O 0.00000 0.50000 0.50000 1.00000
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