Ca5Bi6Pb
Alexandria ALEXAlex-ID: agm006116628 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_71_spg12
CaBi2 Ca11Bi10 Pb
2023-08-19 22:02:03.145375
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006116628).
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 agm006116628
data_agm006116628
_cell_length_a 5.52518
_cell_length_b 9.27178
_cell_length_c 10.12567
_cell_angle_alpha 117.90765
_cell_angle_beta 115.13638
_cell_angle_gamma 97.65916
_cell_volume 377.54094
_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 0.00000 0.00000 0.00000 1.00000
Ca1 Ca 0.50699 0.15212 0.84773 1.00000
Ca2 Ca 0.00736 0.33012 0.67055 1.00000
Ca3 Ca 0.50000 0.50000 0.50000 1.00000
Ca4 Ca 0.99264 0.66988 0.32945 1.00000
Ca5 Ca 0.49301 0.84788 0.15227 1.00000
Bi1 Bi 0.26441 0.08341 0.42658 1.00000
Bi2 Bi 0.75519 0.57388 0.91665 1.00000
Bi3 Bi 0.76395 0.26458 0.26455 1.00000
Bi4 Bi 0.23605 0.73542 0.73545 1.00000
Bi5 Bi 0.24481 0.42612 0.08335 1.00000
Bi6 Bi 0.73559 0.91659 0.57342 1.00000
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