Mn2(SO4)3
Alexandria ALEXAlex-ID: agm005256533 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C12_23_spg15
Mn2(SO4)3
2022-12-13 08:04:10.538322
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005256533).
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 agm005256533
data_agm005256533
_cell_length_a 8.11635
_cell_length_b 8.11635
_cell_length_c 9.34882
_cell_angle_alpha 62.59313
_cell_angle_beta 62.59313
_cell_angle_gamma 63.06932
_cell_volume 462.11112
_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
Mn1 Mn 0.35664 0.86535 0.44962 1.00000
Mn2 Mn 0.86535 0.35664 0.94962 1.00000
Mn3 Mn 0.13465 0.64336 0.05038 1.00000
Mn4 Mn 0.64336 0.13465 0.55038 1.00000
S1 S 0.74990 0.53990 0.34377 1.00000
S2 S 0.53990 0.74990 0.84377 1.00000
S3 S 0.02186 0.97814 0.25000 1.00000
S4 S 0.97814 0.02186 0.75000 1.00000
S5 S 0.46010 0.25010 0.15623 1.00000
S6 S 0.25010 0.46010 0.65623 1.00000
O1 O 0.82955 0.98767 0.38999 1.00000
O2 O 0.98767 0.82955 0.88999 1.00000
O3 O 0.81080 0.51017 0.47736 1.00000
O4 O 0.59401 0.73220 0.30141 1.00000
O5 O 0.90783 0.54134 0.17446 1.00000
O6 O 0.51017 0.81080 0.97736 1.00000
O7 O 0.17377 0.94098 0.31378 1.00000
O8 O 0.66994 0.38345 0.37920 1.00000
O9 O 0.73220 0.59401 0.80141 1.00000
O10 O 0.54134 0.90783 0.67446 1.00000
O11 O 0.94098 0.17377 0.81378 1.00000
O12 O 0.61655 0.33006 0.12080 1.00000
O13 O 0.38345 0.66994 0.87920 1.00000
O14 O 0.05902 0.82623 0.18622 1.00000
O15 O 0.45866 0.09217 0.32554 1.00000
O16 O 0.26780 0.40599 0.19859 1.00000
O17 O 0.33006 0.61655 0.62080 1.00000
O18 O 0.82623 0.05902 0.68622 1.00000
O19 O 0.48983 0.18920 0.02264 1.00000
O20 O 0.09217 0.45866 0.82554 1.00000
O21 O 0.40599 0.26780 0.69859 1.00000
O22 O 0.18920 0.48983 0.52264 1.00000
O23 O 0.01233 0.17045 0.11001 1.00000
O24 O 0.17045 0.01233 0.61001 1.00000
