Na2Pd(SO4)2
Alexandria ALEXAlex-ID: agm019685228 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D8_30_spg2
Na2Pd(SO4)2
2025-01-29 02:22:51
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019685228).
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 agm019685228
data_agm019685228
_cell_length_a 4.88138
_cell_length_b 6.04054
_cell_length_c 6.99636
_cell_angle_alpha 104.88880
_cell_angle_beta 87.82535
_cell_angle_gamma 109.81936
_cell_volume 187.28609
_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
Na1 Na 0.18560 0.28158 0.19515 1.00000
Na2 Na 0.81440 0.71842 0.80485 1.00000
Pd1 Pd 0.50000 0.00000 0.50000 1.00000
S1 S 0.87703 0.69281 0.28256 1.00000
S2 S 0.12297 0.30719 0.71744 1.00000
O1 O 0.73990 0.77572 0.47610 1.00000
O2 O 0.17346 0.69384 0.34706 1.00000
O3 O 0.71294 0.43835 0.18334 1.00000
O4 O 0.82654 0.30616 0.65294 1.00000
O5 O 0.90745 0.86049 0.15790 1.00000
O6 O 0.09255 0.13951 0.84210 1.00000
O7 O 0.26010 0.22428 0.52390 1.00000
O8 O 0.28706 0.56165 0.81666 1.00000
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