Na2Pd(CO3)2
Alexandria ALEXAlex-ID: agm034150578 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D6_6_spg147
PdO Na2CO3 CO2
2025-02-04 10:01:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034150578).
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
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# CIF generated by HEAS from Alexandria entry agm034150578
data_agm034150578
_cell_length_a 4.42179
_cell_length_b 5.89995
_cell_length_c 6.60872
_cell_angle_alpha 85.07789
_cell_angle_beta 98.31212
_cell_angle_gamma 111.92583
_cell_volume 158.16450
_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 0.71272 0.39380 0.68994 1.00000
Na2 Na 0.28728 0.60620 0.31006 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
C1 C 0.34946 0.78034 0.76956 1.00000
C2 C 0.65054 0.21966 0.23044 1.00000
O1 O 0.92291 0.24946 0.15540 1.00000
O2 O 0.40192 0.01019 0.20833 1.00000
O3 O 0.65099 0.39619 0.32888 1.00000
O4 O 0.07709 0.75054 0.84460 1.00000
O5 O 0.34901 0.60381 0.67112 1.00000
O6 O 0.59808 0.98981 0.79167 1.00000
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