MgFe6Sb10(IO3)6
Alexandria ALEXAlex-ID: agm005242406 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C6D10E18_0_spg1
MgFe2O3 Fe3Sb2(IO)4 Fe3Sb5(IO3)3 MgO Sb
2024-10-13 16:08:41
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005242406).
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 agm005242406
data_agm005242406
_cell_length_a 8.34749
_cell_length_b 9.21729
_cell_length_c 12.73840
_cell_angle_alpha 80.34694
_cell_angle_beta 81.91692
_cell_angle_gamma 74.24267
_cell_volume 925.23998
_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 0.25508 0.08176 0.81733 1.00000
Fe1 Fe 0.70341 0.99148 0.35709 1.00000
Fe2 Fe 0.29579 0.00663 0.60907 1.00000
Fe3 Fe 0.03774 0.98427 0.12093 1.00000
Fe4 Fe 0.92464 0.05133 0.86679 1.00000
Fe5 Fe 0.64780 0.08235 0.08940 1.00000
Fe6 Fe 0.41169 0.89171 0.99737 1.00000
Sb1 Sb 0.89723 0.17604 0.50279 1.00000
Sb2 Sb 0.07522 0.80833 0.49114 1.00000
Sb3 Sb 0.25892 0.15308 0.26161 1.00000
Sb4 Sb 0.74709 0.81688 0.75738 1.00000
Sb5 Sb 0.55420 0.20160 0.73088 1.00000
Sb6 Sb 0.45727 0.79241 0.26216 1.00000
Sb7 Sb 0.23377 0.26684 0.99640 1.00000
Sb8 Sb 0.80814 0.73978 0.02360 1.00000
Sb9 Sb 0.82712 0.30521 0.21602 1.00000
Sb10 Sb 0.17323 0.71540 0.77261 1.00000
I1 I 0.76119 0.32613 0.94254 1.00000
I2 I 0.26082 0.65637 0.06724 1.00000
I3 I 0.85312 0.68014 0.31225 1.00000
I4 I 0.12268 0.34658 0.67391 1.00000
I5 I 0.51203 0.30159 0.40457 1.00000
I6 I 0.47835 0.70675 0.57567 1.00000
O1 O 0.19481 0.05624 0.98418 1.00000
O2 O 0.86219 0.93775 0.02912 1.00000
O3 O 0.84932 0.97391 0.47484 1.00000
O4 O 0.12916 0.01777 0.50826 1.00000
O5 O 0.80478 0.09447 0.20638 1.00000
O6 O 0.16388 0.93353 0.76854 1.00000
O7 O 0.42909 0.16367 0.87766 1.00000
O8 O 0.57227 0.85630 0.11479 1.00000
O9 O 0.76458 0.03285 0.75366 1.00000
O10 O 0.22991 0.95087 0.22646 1.00000
O11 O 0.45639 0.03895 0.69924 1.00000
O12 O 0.49031 0.97770 0.30864 1.00000
O13 O 0.06981 0.23527 0.14389 1.00000
O14 O 0.93903 0.74698 0.85768 1.00000
O15 O 0.02074 0.76646 0.65194 1.00000
O16 O 0.95612 0.23174 0.34597 1.00000
O17 O 0.63013 0.81116 0.91500 1.00000
O18 O 0.39872 0.18458 0.10790 1.00000
