In3BiPb3
Alexandria ALEXAlex-ID: agm005876868 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_478_spg148
In Bi Pb
2023-08-06 00:14:31.704983
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005876868).
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 agm005876868
data_agm005876868
_cell_length_a 8.49975
_cell_length_b 8.49969
_cell_length_c 8.49984
_cell_angle_alpha 60.88188
_cell_angle_beta 60.88153
_cell_angle_gamma 60.88115
_cell_volume 442.84382
_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
In1 In 0.55994 0.26876 0.06803 1.00000
In2 In 0.26877 0.06802 0.55994 1.00000
In3 In 0.06802 0.55994 0.26876 1.00000
In4 In 0.93198 0.44006 0.73124 1.00000
In5 In 0.73123 0.93198 0.44006 1.00000
In6 In 0.44006 0.73124 0.93197 1.00000
Bi1 Bi 0.42082 0.42082 0.42082 1.00000
Bi2 Bi 0.57918 0.57918 0.57918 1.00000
Pb1 Pb 0.88015 0.33945 0.17332 1.00000
Pb2 Pb 0.17333 0.88015 0.33945 1.00000
Pb3 Pb 0.33945 0.17333 0.88015 1.00000
Pb4 Pb 0.66055 0.82667 0.11985 1.00000
Pb5 Pb 0.82667 0.11985 0.66055 1.00000
Pb6 Pb 0.11985 0.66055 0.82668 1.00000
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