Al3In3Pb2
Alexandria ALEXAlex-ID: agm009373333 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3_16_spg71
Al In Pb
2024-06-24 11:53:13.194834
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009373333).
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 agm009373333
data_agm009373333
_cell_length_a 11.82218
_cell_length_b 11.82218
_cell_length_c 11.82218
_cell_angle_alpha 163.65053
_cell_angle_beta 154.57574
_cell_angle_gamma 30.37706
_cell_volume 199.57868
_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
Al1 Al 0.40348 0.90348 0.50000 1.00000
Al2 Al 0.50000 0.50000 0.00000 1.00000
Al3 Al 0.59652 0.09652 0.50000 1.00000
In1 In 0.87533 0.37533 0.50000 1.00000
In2 In 0.12467 0.62467 0.50000 1.00000
In3 In 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.71469 0.71469 0.00000 1.00000
Pb2 Pb 0.28531 0.28531 0.00000 1.00000
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