Fe(AsO3)2
Alexandria ALEXAlex-ID: agm005707659 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_693_spg12
AsO2 FeAsO4
2023-07-09 01:25:15.098462
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005707659).
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 agm005707659
data_agm005707659
_cell_length_a 3.00231
_cell_length_b 5.33646
_cell_length_c 8.49809
_cell_angle_alpha 94.33874
_cell_angle_beta 90.00001
_cell_angle_gamma 106.33789
_cell_volume 130.24931
_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 0.00000 0.00000 0.50000 1.00000
As1 As 0.28266 0.56531 0.74695 1.00000
As2 As 0.71734 0.43469 0.25305 1.00000
O1 O 0.12074 0.24148 0.70896 1.00000
O2 O 0.17222 0.34445 0.13745 1.00000
O3 O 0.82778 0.65555 0.86255 1.00000
O4 O 0.37989 0.75978 0.59391 1.00000
O5 O 0.62011 0.24022 0.40609 1.00000
O6 O 0.87926 0.75852 0.29104 1.00000
Get direct link