SmBi2Pb
Alexandria ALEXAlex-ID: agm005651487 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2_4684_spg38
SmBi Pb Bi
2023-07-13 13:20:37.722029
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651487).
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 agm005651487
data_agm005651487
_cell_length_a 6.90776
_cell_length_b 6.90583
_cell_length_c 6.90706
_cell_angle_alpha 76.22561
_cell_angle_beta 60.47330
_cell_angle_gamma 105.63717
_cell_volume 247.56201
_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
Sm1 Sm 0.00021 0.25000 0.75006 1.00000
Sm2 Sm 0.99979 0.75000 0.24994 1.00000
Bi1 Bi 0.49974 0.25020 0.75065 1.00000
Bi2 Bi 0.00002 0.74977 0.74959 1.00000
Bi3 Bi 0.99998 0.25023 0.25041 1.00000
Bi4 Bi 0.50026 0.74980 0.24935 1.00000
Pb1 Pb 0.50003 0.24950 0.25060 1.00000
Pb2 Pb 0.49997 0.75050 0.74940 1.00000
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