Ac2AlPb2
Alexandria ALEXAlex-ID: agm005961917 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_2078_spg12
Ac5Pb4 Ac3Pb4 Ac3Al8
2023-08-03 10:20:46.157613
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005961917).
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
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# CIF generated by HEAS from Alexandria entry agm005961917
data_agm005961917
_cell_length_a 4.74975
_cell_length_b 6.73046
_cell_length_c 11.53544
_cell_angle_alpha 80.80827
_cell_angle_beta 78.11920
_cell_angle_gamma 69.33799
_cell_volume 336.12308
_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 0.69373 0.26934 0.34320 1.00000
Ac2 Ac 0.91115 0.27507 0.90263 1.00000
Ac3 Ac 0.30627 0.73066 0.65680 1.00000
Ac4 Ac 0.08885 0.72493 0.09737 1.00000
Al1 Al 0.54615 0.19952 0.70817 1.00000
Al2 Al 0.45385 0.80048 0.29183 1.00000
Pb1 Pb 0.07939 0.27188 0.56935 1.00000
Pb2 Pb 0.65215 0.82645 0.86925 1.00000
Pb3 Pb 0.92061 0.72812 0.43065 1.00000
Pb4 Pb 0.34785 0.17355 0.13075 1.00000
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