BaIn3Pb
Alexandria ALEXAlex-ID: agm005809039 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5080_spg8
BaPb3 BaIn4 Pb
2023-07-04 06:53:50.249041
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809039).
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 agm005809039
data_agm005809039
_cell_length_a 4.95702
_cell_length_b 4.96155
_cell_length_c 7.25500
_cell_angle_alpha 74.82102
_cell_angle_beta 74.63555
_cell_angle_gamma 88.42705
_cell_volume 165.88457
_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 0.39431 0.19758 0.91132 1.00000
In1 In 0.63499 0.98725 0.39261 1.00000
In2 In 0.18162 0.43670 0.39286 1.00000
In3 In 0.79379 0.59800 0.13407 1.00000
Pb1 Pb 0.00305 0.80565 0.68027 1.00000
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