Ca2Bi4Pb3
Alexandria ALEXAlex-ID: agm005641149 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_298_spg12
CaBi2 Pb
2023-06-30 19:40:26.579998
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005641149).
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 agm005641149
data_agm005641149
_cell_length_a 4.73083
_cell_length_b 6.10171
_cell_length_c 11.32153
_cell_angle_alpha 71.64225
_cell_angle_beta 89.78485
_cell_angle_gamma 67.23515
_cell_volume 283.39763
_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
Ca1 Ca 0.31826 0.36458 0.78430 1.00000
Ca2 Ca 0.68174 0.63542 0.21570 1.00000
Bi1 Bi 0.65927 0.68469 0.89188 1.00000
Bi2 Bi 0.01069 0.97462 0.31708 1.00000
Bi3 Bi 0.98931 0.02538 0.68292 1.00000
Bi4 Bi 0.34073 0.31531 0.10812 1.00000
Pb1 Pb 0.34333 0.32128 0.45930 1.00000
Pb2 Pb 0.00000 0.00000 0.00000 1.00000
Pb3 Pb 0.65667 0.67872 0.54070 1.00000
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