Co3Pb2
Alexandria ALEXAlex-ID: agm005508131 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_55_spg43
Pb Co
2023-03-20 05:27:31.952600
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508131).
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 agm005508131
data_agm005508131
_cell_length_a 8.51345
_cell_length_b 7.76406
_cell_length_c 5.16906
_cell_angle_alpha 79.57717
_cell_angle_beta 63.75713
_cell_angle_gamma 36.66570
_cell_volume 173.09712
_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
Co1 Co 0.40188 0.84793 0.45451 1.00000
Co2 Co 0.29568 0.45451 0.84793 1.00000
Co3 Co 0.40207 0.84812 0.95432 1.00000
Co4 Co 0.79549 0.95432 0.84812 1.00000
Co5 Co 0.08746 0.91254 0.91254 1.00000
Co6 Co 0.33746 0.16254 0.16254 1.00000
Pb1 Pb 0.82715 0.27074 0.51428 1.00000
Pb2 Pb 0.38783 0.51428 0.27074 1.00000
Pb3 Pb 0.97926 0.42285 0.86217 1.00000
Pb4 Pb 0.73572 0.86217 0.42285 1.00000
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