Ba(Cd3Pd)3
Alexandria ALEXAlex-ID: agm006016299 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C9_320_spg12
BaCd9Pd2 Ba(Cd2Pd)2 CdPd
2023-08-10 07:49:22.542506
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006016299).
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 agm006016299
data_agm006016299
_cell_length_a 5.69822
_cell_length_b 7.42262
_cell_length_c 7.77723
_cell_angle_alpha 82.46392
_cell_angle_beta 68.50991
_cell_angle_gamma 69.02247
_cell_volume 285.78938
_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 0.00000 0.00000 0.00000 1.00000
Cd1 Cd 0.71552 0.77955 0.77002 1.00000
Cd2 Cd 0.28448 0.22045 0.22998 1.00000
Cd3 Cd 0.51446 0.22045 0.77002 1.00000
Cd4 Cd 0.48554 0.77955 0.22998 1.00000
Cd5 Cd 0.65485 0.33872 0.35609 1.00000
Cd6 Cd 0.34515 0.66128 0.64391 1.00000
Cd7 Cd 0.98906 0.66128 0.35609 1.00000
Cd8 Cd 0.01094 0.33872 0.64391 1.00000
Cd9 Cd 0.00000 0.50000 0.00000 1.00000
Pd1 Pd 0.50000 0.50000 0.00000 1.00000
Pd2 Pd 0.00000 0.00000 0.50000 1.00000
Pd3 Pd 0.50000 0.00000 0.50000 1.00000
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