Bi2SbPb3
Alexandria ALEXAlex-ID: agm005696222 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2957_spg62
Bi3Sb BiSb Pb
2023-08-25 00:38:27.340430
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005696222).
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 agm005696222
data_agm005696222
_cell_length_a 4.34042
_cell_length_b 9.10618
_cell_length_c 20.29474
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00007
_cell_angle_gamma 90.00000
_cell_volume 802.14281
_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
Bi1 Bi 0.24999 0.59392 0.55039 1.00000
Bi2 Bi 0.75001 0.40608 0.44961 1.00000
Bi3 Bi 0.75001 0.09392 0.94961 1.00000
Bi4 Bi 0.24999 0.90608 0.05039 1.00000
Bi5 Bi 0.25000 0.88094 0.37726 1.00000
Bi6 Bi 0.75000 0.11906 0.62274 1.00000
Bi7 Bi 0.75000 0.38094 0.12274 1.00000
Bi8 Bi 0.25000 0.61906 0.87726 1.00000
Sb1 Sb 0.25000 0.24318 0.22478 1.00000
Sb2 Sb 0.75000 0.75682 0.77522 1.00000
Sb3 Sb 0.75000 0.74318 0.27522 1.00000
Sb4 Sb 0.25000 0.25682 0.72478 1.00000
Pb1 Pb 0.25000 0.34364 0.99251 1.00000
Pb2 Pb 0.75000 0.65636 0.00749 1.00000
Pb3 Pb 0.75000 0.84364 0.50749 1.00000
Pb4 Pb 0.25000 0.15636 0.49251 1.00000
Pb5 Pb 0.25000 0.64480 0.16266 1.00000
Pb6 Pb 0.75000 0.35520 0.83734 1.00000
Pb7 Pb 0.75000 0.14480 0.33734 1.00000
Pb8 Pb 0.25000 0.85520 0.66266 1.00000
Pb9 Pb 0.25000 0.49715 0.33302 1.00000
Pb10 Pb 0.75000 0.50285 0.66698 1.00000
Pb11 Pb 0.75000 0.99715 0.16698 1.00000
Pb12 Pb 0.25000 0.00285 0.83302 1.00000
