PmSO4
Alexandria ALEXAlex-ID: agm005772584 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3333_spg14
Pm2SO2 Pm2(SO4)3 Pm2O3
2023-07-31 00:13:18.119483
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005772584).
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 agm005772584
data_agm005772584
_cell_length_a 6.30569
_cell_length_b 6.95927
_cell_length_c 7.35734
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 92.08928
_cell_volume 322.64806
_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 0.25036 0.19124 0.97037 1.00000
Pm2 Pm 0.24964 0.30876 0.47037 1.00000
Pm3 Pm 0.75036 0.69124 0.52963 1.00000
Pm4 Pm 0.74964 0.80876 0.02963 1.00000
S1 S 0.77027 0.18088 0.68915 1.00000
S2 S 0.72973 0.31912 0.18915 1.00000
S3 S 0.27027 0.68088 0.81085 1.00000
S4 S 0.22973 0.81912 0.31085 1.00000
O1 O 0.23105 0.96874 0.45439 1.00000
O2 O 0.88132 0.10622 0.85494 1.00000
O3 O 0.60623 0.14381 0.12618 1.00000
O4 O 0.54784 0.23121 0.73023 1.00000
O5 O 0.95216 0.26879 0.23023 1.00000
O6 O 0.89377 0.35619 0.62618 1.00000
O7 O 0.61868 0.39378 0.35494 1.00000
O8 O 0.73105 0.46874 0.04561 1.00000
O9 O 0.26895 0.53126 0.95439 1.00000
O10 O 0.38132 0.60622 0.64506 1.00000
O11 O 0.10623 0.64381 0.37382 1.00000
O12 O 0.04784 0.73121 0.76977 1.00000
O13 O 0.45216 0.76879 0.26977 1.00000
O14 O 0.39377 0.85619 0.87382 1.00000
O15 O 0.11868 0.89378 0.14506 1.00000
O16 O 0.76895 0.03126 0.54561 1.00000
