RbPd(NO3)4
Alexandria ALEXAlex-ID: agm018423862 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_45_spg14
RbPd(NO3)4
2024-12-24 17:03:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018423862).
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 agm018423862
data_agm018423862
_cell_length_a 8.52954
_cell_length_b 8.06656
_cell_length_c 9.88207
_cell_angle_alpha 89.99256
_cell_angle_beta 62.45363
_cell_angle_gamma 90.00052
_cell_volume 602.84786
_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
Rb1 Rb 0.50004 0.50002 0.00002 1.00000
Rb2 Rb 0.49999 0.00006 0.50000 1.00000
Pd1 Pd 0.99999 0.99998 0.00001 1.00000
Pd2 Pd 0.00003 0.50001 0.49998 1.00000
N1 N 0.28366 0.76105 0.84713 1.00000
N2 N 0.81953 0.62329 0.36436 1.00000
N3 N 0.18041 0.12333 0.13569 1.00000
N4 N 0.18047 0.37672 0.63568 1.00000
N5 N 0.28368 0.73902 0.34714 1.00000
N6 N 0.71632 0.26100 0.65282 1.00000
N7 N 0.71634 0.23890 0.15283 1.00000
N8 N 0.81957 0.87667 0.86434 1.00000
O1 O 0.89108 0.01515 0.81164 1.00000
O2 O 0.58123 0.20886 0.76355 1.00000
O3 O 0.20732 0.69487 0.97409 1.00000
O4 O 0.84749 0.68383 0.47569 1.00000
O5 O 0.72824 0.70148 0.32055 1.00000
O6 O 0.89117 0.48488 0.31159 1.00000
O7 O 0.27164 0.29846 0.67957 1.00000
O8 O 0.58123 0.29103 0.26353 1.00000
O9 O 0.84754 0.81611 0.97567 1.00000
O10 O 0.10895 0.51518 0.68838 1.00000
O11 O 0.15232 0.18390 0.02442 1.00000
O12 O 0.10902 0.98479 0.18834 1.00000
O13 O 0.77987 0.40394 0.67792 1.00000
O14 O 0.79255 0.19492 0.52583 1.00000
O15 O 0.22020 0.90406 0.82205 1.00000
O16 O 0.77984 0.09593 0.17796 1.00000
O17 O 0.41881 0.70896 0.73645 1.00000
O18 O 0.15251 0.31621 0.52433 1.00000
O19 O 0.41887 0.79117 0.23652 1.00000
O20 O 0.79262 0.30500 0.02583 1.00000
O21 O 0.27160 0.20161 0.17955 1.00000
O22 O 0.22020 0.59607 0.32198 1.00000
O23 O 0.72838 0.79841 0.82046 1.00000
O24 O 0.20728 0.80510 0.47412 1.00000
