Ac8PdPb6
Alexandria ALEXAlex-ID: agm072935537 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_38_spg148
Ac5Pb4 Ac2Pd2Pb Ac4Pb3
2024-10-07 02:37:32.722101
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072935537).
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 agm072935537
data_agm072935537
_cell_length_a 8.88543
_cell_length_b 8.88543
_cell_length_c 8.88543
_cell_angle_alpha 70.06036
_cell_angle_beta 70.06036
_cell_angle_gamma 70.06036
_cell_volume 599.54581
_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 0.66820 0.66820 0.66820 1.00000
Ac2 Ac 0.33180 0.33180 0.33180 1.00000
Ac3 Ac 0.17012 0.65942 0.90242 1.00000
Ac4 Ac 0.65942 0.90242 0.17012 1.00000
Ac5 Ac 0.90242 0.17012 0.65942 1.00000
Ac6 Ac 0.82988 0.34058 0.09758 1.00000
Ac7 Ac 0.34058 0.09758 0.82988 1.00000
Ac8 Ac 0.09758 0.82988 0.34058 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.92657 0.53043 0.31568 1.00000
Pb2 Pb 0.53043 0.31568 0.92657 1.00000
Pb3 Pb 0.31568 0.92657 0.53043 1.00000
Pb4 Pb 0.07343 0.46957 0.68432 1.00000
Pb5 Pb 0.46957 0.68432 0.07343 1.00000
Pb6 Pb 0.68432 0.07343 0.46957 1.00000
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