MgFe3(IO3)8
Alexandria ALEXAlex-ID: agm020994585 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C8D24_4_spg1
Mg(IO3)2 Fe(IO3)3 Fe2O3 I
2024-12-09 04:15:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020994585).
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 agm020994585
data_agm020994585
_cell_length_a 5.37238
_cell_length_b 10.96239
_cell_length_c 11.05653
_cell_angle_alpha 118.50650
_cell_angle_beta 90.22027
_cell_angle_gamma 89.95161
_cell_volume 572.21469
_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 0.14977 0.76274 0.50912 1.00000
Fe1 Fe 0.65000 0.23658 0.48891 1.00000
Fe2 Fe 0.15043 0.26453 0.01128 1.00000
Fe3 Fe 0.65220 0.73507 0.98942 1.00000
I1 I 0.22716 0.41744 0.35237 1.00000
I2 I 0.73043 0.58601 0.65005 1.00000
I3 I 0.22852 0.91390 0.84850 1.00000
I4 I 0.72846 0.08582 0.14929 1.00000
I5 I 0.75068 0.08380 0.68543 1.00000
I6 I 0.25257 0.91283 0.31186 1.00000
I7 I 0.25201 0.41069 0.80917 1.00000
I8 I 0.75153 0.58975 0.19346 1.00000
O1 O 0.43647 0.87841 0.96144 1.00000
O2 O 0.93472 0.11984 0.03542 1.00000
O3 O 0.37585 0.80204 0.68161 1.00000
O4 O 0.88076 0.19932 0.31556 1.00000
O5 O 0.38392 0.30657 0.18780 1.00000
O6 O 0.88798 0.69645 0.81550 1.00000
O7 O 0.92811 0.22495 0.82322 1.00000
O8 O 0.43058 0.77149 0.17500 1.00000
O9 O 0.94272 0.93401 0.65959 1.00000
O10 O 0.44363 0.06253 0.33442 1.00000
O11 O 0.37402 0.07936 0.88444 1.00000
O12 O 0.87353 0.92102 0.11540 1.00000
O13 O 0.42855 0.26875 0.67189 1.00000
O14 O 0.93198 0.72991 0.33125 1.00000
O15 O 0.35904 0.39265 0.95811 1.00000
O16 O 0.86083 0.60832 0.04580 1.00000
O17 O 0.44692 0.55875 0.83259 1.00000
O18 O 0.94325 0.44004 0.16914 1.00000
O19 O 0.36699 0.58478 0.38934 1.00000
O20 O 0.87331 0.41907 0.61295 1.00000
O21 O 0.43433 0.38388 0.46727 1.00000
O22 O 0.93189 0.62073 0.53578 1.00000
O23 O 0.85740 0.10495 0.53840 1.00000
O24 O 0.35906 0.89304 0.45922 1.00000
