Ba2Cu3Pd
Alexandria ALEXAlex-ID: agm019736581 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_228_spg8
Ba2Pd Cu
2025-04-13 15:47:08
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019736581).
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 agm019736581
data_agm019736581
_cell_length_a 6.32751
_cell_length_b 6.32751
_cell_length_c 6.32751
_cell_angle_alpha 139.05176
_cell_angle_beta 105.05922
_cell_angle_gamma 89.13370
_cell_volume 153.62337
_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 0.75106 0.25187 0.49919 1.00000
Ba2 Ba 0.24732 0.74813 0.49919 1.00000
Cu1 Cu 0.17306 0.00000 0.17306 1.00000
Cu2 Cu 0.65948 0.50000 0.15948 1.00000
Cu3 Cu 0.33402 0.50000 0.83402 1.00000
Pd1 Pd 0.83522 0.00000 0.83522 1.00000
