Ca3(Bi2Pb)2
Alexandria ALEXAlex-ID: agm005665990 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_768_spg15
CaBi2 Ca11Bi10 Pb
2023-06-26 20:14:28.436038
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665990).
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 agm005665990
data_agm005665990
_cell_length_a 9.29195
_cell_length_b 8.64092
_cell_length_c 8.64092
_cell_angle_alpha 73.01730
_cell_angle_beta 72.96334
_cell_angle_gamma 72.96332
_cell_volume 617.88152
_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 0.88616 0.05944 0.34032 1.00000
Ca2 Ca 0.61384 0.65968 0.94056 1.00000
Ca3 Ca 0.11384 0.94056 0.65968 1.00000
Ca4 Ca 0.38616 0.34032 0.05944 1.00000
Ca5 Ca 0.25000 0.61775 0.38225 1.00000
Ca6 Ca 0.75000 0.38225 0.61775 1.00000
Bi1 Bi 0.27059 0.00464 0.21986 1.00000
Bi2 Bi 0.22941 0.78014 0.99536 1.00000
Bi3 Bi 0.72941 0.99536 0.78014 1.00000
Bi4 Bi 0.77059 0.21986 0.00464 1.00000
Bi5 Bi 0.09987 0.30920 0.40615 1.00000
Bi6 Bi 0.40013 0.59385 0.69080 1.00000
Bi7 Bi 0.90013 0.69080 0.59385 1.00000
Bi8 Bi 0.59987 0.40615 0.30920 1.00000
Pb1 Pb 0.43656 0.15119 0.60959 1.00000
Pb2 Pb 0.06344 0.39041 0.84881 1.00000
Pb3 Pb 0.56344 0.84881 0.39041 1.00000
Pb4 Pb 0.93656 0.60959 0.15119 1.00000
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