Ba3Ag3Pb8
Alexandria ALEXAlex-ID: agm005687326 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_19_spg12
Ba3Pb5 BaPb3 Ag
2023-06-29 09:31:03.496689
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005687326).
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 agm005687326
data_agm005687326
_cell_length_a 5.29645
_cell_length_b 9.88461
_cell_length_c 9.67868
_cell_angle_alpha 67.74587
_cell_angle_beta 74.12055
_cell_angle_gamma 74.45981
_cell_volume 443.32348
_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
Ba1 Ba 0.29396 0.69815 0.71393 1.00000
Ba2 Ba 0.70604 0.30185 0.28607 1.00000
Ba3 Ba 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.00000 0.50000 0.50000 1.00000
Ag2 Ag 0.66119 0.68631 0.99131 1.00000
Ag3 Ag 0.33881 0.31369 0.00869 1.00000
Pb1 Pb 0.15073 0.13549 0.56304 1.00000
Pb2 Pb 0.84927 0.86451 0.43696 1.00000
Pb3 Pb 0.85739 0.42428 0.86094 1.00000
Pb4 Pb 0.14261 0.57572 0.13906 1.00000
Pb5 Pb 0.50258 0.67385 0.32099 1.00000
Pb6 Pb 0.49742 0.32615 0.67901 1.00000
Pb7 Pb 0.35530 0.02724 0.26217 1.00000
Pb8 Pb 0.64470 0.97276 0.73783 1.00000
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