Mg4Fe3O7
Alexandria ALEXAlex-ID: agm009603885 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_6_spg71
MgFe2O3 MgO
2024-10-25 17:25:42.648016
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009603885).
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 agm009603885
data_agm009603885
_cell_length_a 11.04808
_cell_length_b 11.04808
_cell_length_c 11.04808
_cell_angle_alpha 163.97303
_cell_angle_beta 157.67379
_cell_angle_gamma 27.60441
_cell_volume 141.38040
_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
Mg1 Mg 0.71520 0.71520 0.00000 1.00000
Mg2 Mg 0.57042 0.57042 0.00000 1.00000
Mg3 Mg 0.42958 0.42958 0.00000 1.00000
Mg4 Mg 0.28480 0.28480 0.00000 1.00000
Fe1 Fe 0.00000 0.00000 0.00000 1.00000
Fe2 Fe 0.14340 0.14340 0.00000 1.00000
Fe3 Fe 0.85660 0.85660 0.00000 1.00000
O1 O 0.07069 0.57069 0.50000 1.00000
O2 O 0.92931 0.42931 0.50000 1.00000
O3 O 0.78225 0.28225 0.50000 1.00000
O4 O 0.21775 0.71775 0.50000 1.00000
O5 O 0.50000 0.00000 0.50000 1.00000
O6 O 0.64254 0.14254 0.50000 1.00000
O7 O 0.35746 0.85746 0.50000 1.00000
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