BaZnPb3
Alexandria ALEXAlex-ID: agm005808315 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_6605_spg44
Ba4Zn51 BaPb3 Pb
2023-07-06 06:52:41.969472
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005808315).
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 agm005808315
data_agm005808315
_cell_length_a 5.51335
_cell_length_b 4.98204
_cell_length_c 6.77557
_cell_angle_alpha 68.27542
_cell_angle_beta 71.66847
_cell_angle_gamma 90.14942
_cell_volume 162.61543
_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 0.35169 0.19300 0.92686 1.00000
Zn1 Zn 0.09643 0.83225 0.64270 1.00000
Pb1 Pb 0.66388 0.93698 0.44102 1.00000
Pb2 Pb 0.13277 0.45082 0.40809 1.00000
Pb3 Pb 0.76299 0.61213 0.09245 1.00000
