Fe(SO3)2
Alexandria ALEXAlex-ID: agm005686493 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3100_spg2
FeSO4 SO2
2023-07-13 02:07:01.083033
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686493).
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 agm005686493
data_agm005686493
_cell_length_a 7.33087
_cell_length_b 6.48883
_cell_length_c 6.63587
_cell_angle_alpha 89.33135
_cell_angle_beta 85.15167
_cell_angle_gamma 60.54406
_cell_volume 273.71042
_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 0.28903 0.10385 0.85504 1.00000
Fe2 Fe 0.71097 0.89615 0.14496 1.00000
S1 S 0.16988 0.67138 0.86730 1.00000
S2 S 0.20810 0.23182 0.35623 1.00000
S3 S 0.83012 0.32862 0.13270 1.00000
S4 S 0.79190 0.76818 0.64377 1.00000
O1 O 0.31044 0.77194 0.87237 1.00000
O2 O 0.97856 0.18994 0.30004 1.00000
O3 O 0.68956 0.22806 0.12763 1.00000
O4 O 0.02144 0.81006 0.69996 1.00000
O5 O 0.73199 0.91965 0.46818 1.00000
O6 O 0.70778 0.58081 0.19610 1.00000
O7 O 0.26801 0.08035 0.53182 1.00000
O8 O 0.29222 0.41919 0.80390 1.00000
O9 O 0.04205 0.70772 0.06097 1.00000
O10 O 0.35847 0.09786 0.17382 1.00000
O11 O 0.95795 0.29228 0.93903 1.00000
O12 O 0.64153 0.90214 0.82618 1.00000
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