Ac2Cu5Pd12
Alexandria ALEXAlex-ID: agm005678070 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_274_spg166
Cu2Pd AcPd5 Ac4Pd13
2023-06-23 05:03:06.257820
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005678070).
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 agm005678070
data_agm005678070
_cell_length_a 6.92643
_cell_length_b 6.92643
_cell_length_c 6.92643
_cell_angle_alpha 82.49335
_cell_angle_beta 82.49335
_cell_angle_gamma 82.49335
_cell_volume 324.43924
_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
Ac1 Ac 0.65855 0.65855 0.65855 1.00000
Ac2 Ac 0.34145 0.34145 0.34145 1.00000
Cu1 Cu 0.00000 0.00000 0.50000 1.00000
Cu2 Cu 0.00000 0.50000 0.00000 1.00000
Cu3 Cu 0.50000 0.00000 0.00000 1.00000
Cu4 Cu 0.90783 0.90783 0.90783 1.00000
Cu5 Cu 0.09217 0.09217 0.09217 1.00000
Pd1 Pd 0.29228 0.70772 1.00000 1.00000
Pd2 Pd 0.70772 0.00000 0.29228 1.00000
Pd3 Pd 1.00000 0.29228 0.70772 1.00000
Pd4 Pd 0.70772 0.29228 0.00000 1.00000
Pd5 Pd 0.29228 1.00000 0.70772 1.00000
Pd6 Pd 0.00000 0.70772 0.29228 1.00000
Pd7 Pd 0.34135 0.34135 0.86290 1.00000
Pd8 Pd 0.34135 0.86290 0.34135 1.00000
Pd9 Pd 0.86290 0.34135 0.34135 1.00000
Pd10 Pd 0.65865 0.13710 0.65865 1.00000
Pd11 Pd 0.65865 0.65865 0.13710 1.00000
Pd12 Pd 0.13710 0.65865 0.65865 1.00000
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