Ac3SbPd9Au2
Alexandria ALEXAlex-ID: agm004679331 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D9_88_spg164
Ac2(PdAu)5 AcSbPd Ac2(SbPd3)3 Ac4SbPd12
2022-07-01 09:16:01.938966
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004679331).
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 agm004679331
data_agm004679331
_cell_length_a 5.75348
_cell_length_b 5.75348
_cell_length_c 12.72385
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 364.76238
_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 0.33333 0.66667 0.75867 1.00000
Ac2 Ac 0.00000 0.00000 0.00000 1.00000
Ac3 Ac 0.66667 0.33333 0.24133 1.00000
Sb1 Sb 0.00000 0.00000 0.50000 1.00000
Pd1 Pd 0.82842 0.17158 0.65380 1.00000
Pd2 Pd 0.82842 0.65684 0.65380 1.00000
Pd3 Pd 0.34316 0.17158 0.65380 1.00000
Pd4 Pd 0.65684 0.82842 0.34620 1.00000
Pd5 Pd 0.17158 0.34316 0.34620 1.00000
Pd6 Pd 0.17158 0.82842 0.34620 1.00000
Pd7 Pd 0.50000 0.00000 0.00000 1.00000
Pd8 Pd 0.00000 0.50000 0.00000 1.00000
Pd9 Pd 0.50000 0.50000 0.00000 1.00000
Au1 Au 0.33333 0.66667 0.17128 1.00000
Au2 Au 0.66667 0.33333 0.82872 1.00000
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