In2BiPb2
Alexandria ALEXAlex-ID: agm002926316 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_106_spg139
In Bi Pb
2023-03-26 00:19:19.528676
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002926316).
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 agm002926316
data_agm002926316
_cell_length_a 4.24385
_cell_length_b 4.24385
_cell_length_c 9.27734
_cell_angle_alpha 76.77819
_cell_angle_beta 76.77819
_cell_angle_gamma 90.00000
_cell_volume 158.10507
_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
Pb1 Pb 0.40254 0.40254 0.19492 1.00000
Pb2 Pb 0.59746 0.59746 0.80508 1.00000
Bi1 Bi 0.00000 0.00000 0.00000 1.00000
In1 In 0.75000 0.25000 0.50000 1.00000
In2 In 0.25000 0.75000 0.50000 1.00000
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