Fe3As5(IO3)3
Alexandria ALEXAlex-ID: agm008682149 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C5D9_1_spg2
Fe3As2(IO)4 Fe(AsO2)2 As2O3
2025-04-12 21:35:43.623162
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008682149).
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 agm008682149
data_agm008682149
_cell_length_a 8.05583
_cell_length_b 9.15260
_cell_length_c 12.53652
_cell_angle_alpha 82.84815
_cell_angle_beta 88.50696
_cell_angle_gamma 77.98673
_cell_volume 897.06266
_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 0.73189 0.96952 0.34014 1.00000
Fe2 Fe 0.26811 0.03048 0.65986 1.00000
Fe3 Fe 0.02793 0.91808 0.12614 1.00000
Fe4 Fe 0.97207 0.08192 0.87386 1.00000
Fe5 Fe 0.62710 0.08038 0.05991 1.00000
Fe6 Fe 0.37290 0.91962 0.94009 1.00000
As1 As 0.90602 0.15948 0.48440 1.00000
As2 As 0.09398 0.84052 0.51560 1.00000
As3 As 0.30464 0.09379 0.26138 1.00000
As4 As 0.69536 0.90621 0.73862 1.00000
As5 As 0.53777 0.20595 0.79444 1.00000
As6 As 0.46223 0.79405 0.20556 1.00000
As7 As 0.19383 0.24042 0.03145 1.00000
As8 As 0.80617 0.75958 0.96855 1.00000
As9 As 0.85540 0.26199 0.21731 1.00000
As10 As 0.14460 0.73801 0.78269 1.00000
I1 I 0.75008 0.35166 0.95804 1.00000
I2 I 0.24992 0.64834 0.04196 1.00000
I3 I 0.90171 0.69374 0.28103 1.00000
I4 I 0.09829 0.30626 0.71897 1.00000
I5 I 0.53751 0.25725 0.40713 1.00000
I6 I 0.46249 0.74275 0.59287 1.00000
O1 O 0.14940 0.06369 0.99702 1.00000
O2 O 0.85060 0.93631 0.00298 1.00000
O3 O 0.86598 0.96692 0.47518 1.00000
O4 O 0.13402 0.03308 0.52482 1.00000
O5 O 0.81390 0.08011 0.19299 1.00000
O6 O 0.18610 0.91989 0.80701 1.00000
O7 O 0.46768 0.12857 0.92000 1.00000
O8 O 0.53232 0.87143 0.08000 1.00000
O9 O 0.76039 0.07703 0.78531 1.00000
O10 O 0.23961 0.92297 0.21469 1.00000
O11 O 0.48883 0.05340 0.71788 1.00000
O12 O 0.51117 0.94660 0.28212 1.00000
O13 O 0.07149 0.23667 0.15968 1.00000
O14 O 0.92851 0.76333 0.84032 1.00000
O15 O 0.02784 0.80470 0.65237 1.00000
O16 O 0.97216 0.19530 0.34763 1.00000
O17 O 0.62030 0.83049 0.87447 1.00000
O18 O 0.37970 0.16951 0.12553 1.00000
