Ba2Na2Sr2Pd
Alexandria ALEXAlex-ID: agm004545809 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D2_66_spg71
Ba2SrPd Sr6Pd BaNa Na
2022-06-22 08:12:35.888957
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004545809).
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 agm004545809
data_agm004545809
_cell_length_a 4.70878
_cell_length_b 8.36425
_cell_length_c 9.47104
_cell_angle_alpha 67.18817
_cell_angle_beta 75.63151
_cell_angle_gamma 89.99604
_cell_volume 331.15288
_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
Ba1 Ba 0.18754 0.17356 0.62440 1.00000
Ba2 Ba 0.81246 0.82644 0.37560 1.00000
Na1 Na 0.12568 0.60029 0.74964 1.00000
Na2 Na 0.87432 0.39971 0.25036 1.00000
Sr1 Sr 0.49453 0.23001 0.01106 1.00000
Sr2 Sr 0.50547 0.76999 0.98894 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
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