Ba2ZnSbPd6
Alexandria ALEXAlex-ID: agm004932207 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D6_393_spg12
BaZn2Pd3 Zn3Pd5 BaPd2 BaSbPd3
2023-01-15 23:56:31.396915
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004932207).
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 agm004932207
data_agm004932207
_cell_length_a 5.80073
_cell_length_b 8.63433
_cell_length_c 6.98933
_cell_angle_alpha 52.23592
_cell_angle_beta 65.48558
_cell_angle_gamma 90.00086
_cell_volume 235.55530
_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 0.74047 0.28337 0.51905 1.00000
Ba2 Ba 0.25954 0.71663 0.48094 1.00000
Zn1 Zn 1.00000 1.00000 0.00000 1.00000
Sb1 Sb 0.50000 0.50000 0.00000 1.00000
Pd1 Pd 0.24578 0.10640 0.50841 1.00000
Pd2 Pd 0.78392 0.76832 0.95540 1.00000
Pd3 Pd 0.26069 0.76833 0.95538 1.00000
Pd4 Pd 0.73931 0.23166 0.04462 1.00000
Pd5 Pd 0.21608 0.23168 0.04460 1.00000
Pd6 Pd 0.75422 0.89360 0.49160 1.00000
Get direct link