Cs3(BiPb)4
Alexandria ALEXAlex-ID: agm003379802 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C4_0_spg71
CsBiPb Cs(BiPb)2
2022-02-09 02:08:58.502383
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003379802).
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 agm003379802
data_agm003379802
_cell_length_a 5.80970
_cell_length_b 5.24984
_cell_length_c 16.98992
_cell_angle_alpha 81.22847
_cell_angle_beta 80.17180
_cell_angle_gamma 89.99528
_cell_volume 504.43639
_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
Cs1 Cs 0.14661 0.64672 0.70661 1.00000
Cs2 Cs 0.85341 0.35330 0.29339 1.00000
Cs3 Cs 0.00001 0.00001 1.00000 1.00000
Bi1 Bi 0.54857 0.54852 0.90310 1.00000
Bi2 Bi 0.45146 0.45151 0.09690 1.00000
Bi3 Bi 0.30378 0.80382 0.39187 1.00000
Bi4 Bi 0.69625 0.19620 0.60813 1.00000
Pb1 Pb 0.59847 0.09728 0.80463 1.00000
Pb2 Pb 0.24719 0.24707 0.50598 1.00000
Pb3 Pb 0.75284 0.75296 0.49403 1.00000
Pb4 Pb 0.40155 0.90275 0.19537 1.00000
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