Fe3Pd(SO4)6
Alexandria ALEXAlex-ID: agm021010026 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6D24_0_spg146
Pd(SO4)2 PdSO4 Fe2(SO4)3
2025-01-15 14:12:18
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm021010026).
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 agm021010026
data_agm021010026
_cell_length_a 8.97574
_cell_length_b 8.97574
_cell_length_c 8.97574
_cell_angle_alpha 55.49187
_cell_angle_beta 55.49187
_cell_angle_gamma 55.49187
_cell_volume 457.80105
_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 0.35631 0.35631 0.35631 1.00000
Fe2 Fe 0.64589 0.64589 0.64589 1.00000
Fe3 Fe 0.84907 0.84907 0.84907 1.00000
Pd1 Pd 0.15184 0.15184 0.15184 1.00000
S1 S 0.04210 0.74641 0.46236 1.00000
S2 S 0.54028 0.95913 0.25092 1.00000
S3 S 0.25092 0.54028 0.95913 1.00000
S4 S 0.74641 0.46236 0.04210 1.00000
S5 S 0.46236 0.04210 0.74641 1.00000
S6 S 0.95913 0.25092 0.54028 1.00000
O1 O 0.28468 0.51116 0.11860 1.00000
O2 O 0.11860 0.28468 0.51116 1.00000
O3 O 0.00331 0.95084 0.32499 1.00000
O4 O 0.02601 0.72434 0.64775 1.00000
O5 O 0.35176 0.95962 0.29542 1.00000
O6 O 0.04755 0.67175 0.97871 1.00000
O7 O 0.51116 0.11860 0.28468 1.00000
O8 O 0.23847 0.61678 0.37833 1.00000
O9 O 0.67175 0.97871 0.04755 1.00000
O10 O 0.38347 0.62845 0.76879 1.00000
O11 O 0.62845 0.76879 0.38347 1.00000
O12 O 0.29542 0.35176 0.95962 1.00000
O13 O 0.72434 0.64775 0.02601 1.00000
O14 O 0.37833 0.23847 0.61678 1.00000
O15 O 0.61678 0.37833 0.23847 1.00000
O16 O 0.32499 0.00331 0.95084 1.00000
O17 O 0.76879 0.38347 0.62845 1.00000
O18 O 0.49902 0.89677 0.68683 1.00000
O19 O 0.95084 0.32499 0.00331 1.00000
O20 O 0.64775 0.02601 0.72434 1.00000
O21 O 0.95962 0.29542 0.35176 1.00000
O22 O 0.97871 0.04755 0.67175 1.00000
O23 O 0.89677 0.68683 0.49902 1.00000
O24 O 0.68683 0.49902 0.89677 1.00000
