Li(Sn4Bi3)2
Alexandria ALEXAlex-ID: agm072995201 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_601_spg2
Bi Sn LiBi
2024-10-06 23:04:03.210346
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072995201).
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
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# CIF generated by HEAS from Alexandria entry agm072995201
data_agm072995201
_cell_length_a 9.51303
_cell_length_b 8.53720
_cell_length_c 9.12999
_cell_angle_alpha 114.95042
_cell_angle_beta 71.73865
_cell_angle_gamma 138.13746
_cell_volume 448.64816
_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
Li1 Li 0.06681 0.00011 0.00011 1.00000
Sn1 Sn 0.37565 0.20527 0.38309 1.00000
Sn2 Sn 0.44317 0.80196 0.58452 1.00000
Sn3 Sn 0.10573 0.79545 0.59402 1.00000
Sn4 Sn 0.75731 0.79476 0.61693 1.00000
Sn5 Sn 0.05875 0.38548 0.78651 1.00000
Sn6 Sn 0.68975 0.19794 0.41550 1.00000
Sn7 Sn 0.02709 0.20439 0.40585 1.00000
Sn8 Sn 0.07492 0.61450 0.21329 1.00000
Bi1 Bi 0.76299 0.44737 0.81408 1.00000
Bi2 Bi 0.74479 0.02911 0.01891 1.00000
Bi3 Bi 0.37267 0.35957 0.78576 1.00000
Bi4 Bi 0.37077 0.55277 0.18602 1.00000
Bi5 Bi 0.38869 0.97100 0.98114 1.00000
Bi6 Bi 0.76089 0.64033 0.21427 1.00000
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