Ac3(YPb2)2
Alexandria ALEXAlex-ID: agm005670053 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_311_spg12
Ac5Pb4 Ac2Y3Pb4
2023-06-29 07:02:55.475321
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005670053).
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 agm005670053
data_agm005670053
_cell_length_a 5.19345
_cell_length_b 7.52011
_cell_length_c 9.25573
_cell_angle_alpha 76.41207
_cell_angle_beta 73.70678
_cell_angle_gamma 69.79964
_cell_volume 321.77876
_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 0.35470 0.58306 0.70755 1.00000
Ac2 Ac 0.00000 0.00000 0.00000 1.00000
Ac3 Ac 0.64530 0.41694 0.29245 1.00000
Y1 Y 0.34703 0.97245 0.33349 1.00000
Y2 Y 0.65297 0.02755 0.66651 1.00000
Pb1 Pb 0.32807 0.29785 0.04600 1.00000
Pb2 Pb 0.67193 0.70215 0.95400 1.00000
Pb3 Pb 0.07486 0.26338 0.58690 1.00000
Pb4 Pb 0.92514 0.73662 0.41310 1.00000
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