Ag2H6PdS2(NO3)2
Alexandria ALEXAlex-ID: agm005239301 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2E6F6_2_spg14
Ag3Pd H5S2NO7 PdS H13S2N3O8 Ag N2
2024-10-05 06:29:05
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005239301).
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 agm005239301
data_agm005239301
_cell_length_a 6.00408
_cell_length_b 7.15911
_cell_length_c 10.68094
_cell_angle_alpha 109.12280
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 433.77349
_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
Ag1 Ag 0.26778 0.57589 0.35498 1.00000
Ag2 Ag 0.76778 0.42411 0.14502 1.00000
Ag3 Ag 0.73222 0.42411 0.64502 1.00000
Ag4 Ag 0.23222 0.57589 0.85498 1.00000
H1 H 0.80757 0.13179 0.37591 1.00000
H2 H 0.30757 0.86821 0.12409 1.00000
H3 H 0.19243 0.86821 0.62409 1.00000
H4 H 0.69243 0.13179 0.87591 1.00000
H5 H 0.66166 0.95933 0.26248 1.00000
H6 H 0.16166 0.04067 0.23752 1.00000
H7 H 0.33834 0.04067 0.73752 1.00000
H8 H 0.83834 0.95933 0.76248 1.00000
H9 H 0.56427 0.18837 0.32417 1.00000
H10 H 0.06427 0.81163 0.17583 1.00000
H11 H 0.43573 0.81163 0.67583 1.00000
H12 H 0.93573 0.18837 0.82417 1.00000
Pd1 Pd 0.50000 0.00000 0.50000 1.00000
Pd2 Pd 0.00000 0.00000 0.00000 1.00000
S1 S 0.76312 0.74843 0.46524 1.00000
S2 S 0.26312 0.25157 0.03476 1.00000
S3 S 0.23688 0.25157 0.53476 1.00000
S4 S 0.73688 0.74843 0.96524 1.00000
N1 N 0.64939 0.08028 0.34765 1.00000
N2 N 0.14939 0.91972 0.15235 1.00000
N3 N 0.35061 0.91972 0.65235 1.00000
N4 N 0.85061 0.08028 0.84765 1.00000
O1 O 0.64942 0.55457 0.38653 1.00000
O2 O 0.14942 0.44543 0.11347 1.00000
O3 O 0.35058 0.44543 0.61347 1.00000
O4 O 0.85058 0.55457 0.88653 1.00000
O5 O 0.95890 0.77887 0.38620 1.00000
O6 O 0.45890 0.22113 0.11380 1.00000
O7 O 0.04110 0.22113 0.61380 1.00000
O8 O 0.54110 0.77887 0.88620 1.00000
O9 O 0.84156 0.73281 0.59547 1.00000
O10 O 0.34156 0.26719 0.90453 1.00000
O11 O 0.15844 0.26719 0.40453 1.00000
O12 O 0.65844 0.73281 0.09547 1.00000
