Pd(N3O7)2
Alexandria ALEXAlex-ID: agm005242827 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C14_15_spg14
Pd(NO3)2 NO2
2024-10-14 17:48:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005242827).
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 agm005242827
data_agm005242827
_cell_length_a 7.87401
_cell_length_b 8.44542
_cell_length_c 9.14661
_cell_angle_alpha 99.20604
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 600.40897
_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
Pd1 Pd 0.50000 0.00000 0.00000 1.00000
Pd2 Pd 0.00000 0.00000 0.50000 1.00000
N1 N 0.41457 0.72965 0.38086 1.00000
N2 N 0.91457 0.27035 0.11914 1.00000
N3 N 0.58543 0.27035 0.61914 1.00000
N4 N 0.08543 0.72965 0.88086 1.00000
N5 N 0.64305 0.69674 0.03981 1.00000
N6 N 0.14305 0.30326 0.46019 1.00000
N7 N 0.35695 0.30326 0.96019 1.00000
N8 N 0.85695 0.69674 0.53981 1.00000
N9 N 0.57281 0.17688 0.29294 1.00000
N10 N 0.07281 0.82312 0.20706 1.00000
N11 N 0.42719 0.82312 0.70706 1.00000
N12 N 0.92719 0.17688 0.79294 1.00000
O1 O 0.71381 0.71423 0.92248 1.00000
O2 O 0.21381 0.28577 0.57752 1.00000
O3 O 0.28619 0.28577 0.07752 1.00000
O4 O 0.78619 0.71423 0.42248 1.00000
O5 O 0.63413 0.15502 0.15587 1.00000
O6 O 0.13413 0.84498 0.34413 1.00000
O7 O 0.36587 0.84498 0.84413 1.00000
O8 O 0.86587 0.15502 0.65587 1.00000
O9 O 0.65593 0.57686 0.10186 1.00000
O10 O 0.15593 0.42314 0.39814 1.00000
O11 O 0.34407 0.42314 0.89814 1.00000
O12 O 0.84407 0.57686 0.60186 1.00000
O13 O 0.42278 0.60334 0.32225 1.00000
O14 O 0.92278 0.39666 0.17775 1.00000
O15 O 0.57722 0.39666 0.67775 1.00000
O16 O 0.07722 0.60334 0.82225 1.00000
O17 O 0.45225 0.09732 0.32509 1.00000
O18 O 0.95225 0.90268 0.17491 1.00000
O19 O 0.54775 0.90268 0.67491 1.00000
O20 O 0.04775 0.09732 0.82509 1.00000
O21 O 0.54392 0.81356 0.10896 1.00000
O22 O 0.04392 0.18644 0.39104 1.00000
O23 O 0.45608 0.18644 0.89104 1.00000
O24 O 0.95608 0.81356 0.60896 1.00000
O25 O 0.64812 0.28470 0.38132 1.00000
O26 O 0.14812 0.71530 0.11868 1.00000
O27 O 0.35188 0.71530 0.61868 1.00000
O28 O 0.85188 0.28470 0.88132 1.00000
