Fe(SO4)2
Alexandria ALEXAlex-ID: agm005877803 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_218_spg12
SO5 Fe2(SO4)3 SO3
2023-09-28 14:08:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005877803).
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 agm005877803
data_agm005877803
_cell_length_a 4.69585
_cell_length_b 6.14313
_cell_length_c 6.14313
_cell_angle_alpha 87.17763
_cell_angle_beta 85.70639
_cell_angle_gamma 85.70638
_cell_volume 176.04908
_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 0.00000 1.00000
S1 S 0.64459 0.78939 0.78939 1.00000
S2 S 0.35541 0.21061 0.21061 1.00000
O1 O 0.21836 0.99169 0.26522 1.00000
O2 O 0.21836 0.26522 0.99169 1.00000
O3 O 0.78164 0.00831 0.73478 1.00000
O4 O 0.27890 0.37048 0.37048 1.00000
O5 O 0.78164 0.73478 0.00831 1.00000
O6 O 0.33120 0.82982 0.82982 1.00000
O7 O 0.66880 0.17018 0.17018 1.00000
O8 O 0.72110 0.62952 0.62952 1.00000
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