Pm(SO3)2
Alexandria ALEXAlex-ID: agm005686523 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_1934_spg122
Pm2SO2 Pm2(SO4)3 S8O
2023-07-09 02:18:19.503275
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005686523).
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 agm005686523
data_agm005686523
_cell_length_a 6.75233
_cell_length_b 6.75233
_cell_length_c 7.09500
_cell_angle_alpha 106.59895
_cell_angle_beta 106.59895
_cell_angle_gamma 113.55721
_cell_volume 253.03012
_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
Pm1 Pm 0.50232 0.00232 0.50000 1.00000
Pm2 Pm 0.25232 0.25232 1.00000 1.00000
S1 S 0.75789 0.63750 0.53373 1.00000
S2 S 0.10377 0.22416 0.46627 1.00000
S3 S 0.88750 0.50789 0.03373 1.00000
S4 S 0.47416 0.85377 0.96627 1.00000
O1 O 0.52767 0.62502 0.38858 1.00000
O2 O 0.23644 0.13909 0.61142 1.00000
O3 O 0.87502 0.27767 0.88858 1.00000
O4 O 0.38909 0.98644 0.11142 1.00000
O5 O 0.11394 0.63315 0.25024 1.00000
O6 O 0.38291 0.86370 0.74976 1.00000
O7 O 0.88315 0.86394 0.75024 1.00000
O8 O 0.11370 0.13291 0.24976 1.00000
O9 O 0.66912 0.41947 0.57614 1.00000
O10 O 0.84334 0.09298 0.42386 1.00000
O11 O 0.66947 0.41912 0.07614 1.00000
O12 O 0.34298 0.59334 0.92386 1.00000
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