Ac6PdPb5
Alexandria ALEXAlex-ID: agm003678024 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_49_spg12
Ac5Pb4 Ac3Pb4 Ac2Pd2Pb
2022-04-10 01:35:21.114099
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003678024).
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 agm003678024
data_agm003678024
_cell_length_a 8.77965
_cell_length_b 8.55562
_cell_length_c 7.55705
_cell_angle_alpha 55.52348
_cell_angle_beta 82.13530
_cell_angle_gamma 76.01149
_cell_volume 454.07023
_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 0.78109 0.05441 0.32194 1.00000
Ac2 Ac 0.21891 0.62365 0.32194 1.00000
Ac3 Ac 0.28527 0.21185 1.00000 1.00000
Ac4 Ac 0.71473 0.78815 0.00000 1.00000
Ac5 Ac 0.78109 0.37635 0.67806 1.00000
Ac6 Ac 0.21891 0.94559 0.67806 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.50000 0.21590 0.56821 1.00000
Pb2 Pb 1.00000 0.37177 0.25647 1.00000
Pb3 Pb 0.50000 0.50000 0.00000 1.00000
Pb4 Pb 0.00000 0.62823 0.74353 1.00000
Pb5 Pb 0.50000 0.78410 0.43179 1.00000
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