Cr2Pb3
Alexandria ALEXAlex-ID: agm005505629 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_55_spg43
Pb Cr
2023-03-20 05:55:29.236455
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005505629).
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 agm005505629
data_agm005505629
_cell_length_a 9.29039
_cell_length_b 6.50847
_cell_length_c 7.79960
_cell_angle_alpha 80.42799
_cell_angle_beta 43.69394
_cell_angle_gamma 55.87807
_cell_volume 244.95715
_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
Cr1 Cr 0.44557 0.59942 0.14385 1.00000
Cr2 Cr 0.81117 0.14385 0.59942 1.00000
Cr3 Cr 0.10615 0.43883 0.80443 1.00000
Cr4 Cr 0.65058 0.80443 0.43883 1.00000
Pb1 Pb 0.59328 0.04491 0.11664 1.00000
Pb2 Pb 0.24518 0.11664 0.04491 1.00000
Pb3 Pb 0.13336 0.00482 0.65672 1.00000
Pb4 Pb 0.20509 0.65672 0.00482 1.00000
Pb5 Pb 0.90481 0.59519 0.59519 1.00000
Pb6 Pb 0.65481 0.34519 0.34519 1.00000
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