Li2In3Bi4
Alexandria ALEXAlex-ID: agm005667705 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_902_spg12
Bi In LiBi
2023-06-30 20:32:01.878371
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005667705).
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 agm005667705
data_agm005667705
_cell_length_a 4.24588
_cell_length_b 5.20323
_cell_length_c 12.86852
_cell_angle_alpha 75.50996
_cell_angle_beta 88.62737
_cell_angle_gamma 69.09527
_cell_volume 256.46189
_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 0.33140 0.32432 0.78004 1.00000
Li2 Li 0.66860 0.67568 0.21996 1.00000
In1 In 0.32833 0.33866 0.44254 1.00000
In2 In 0.00000 0.00000 0.00000 1.00000
In3 In 0.67167 0.66134 0.55746 1.00000
Bi1 Bi 0.64539 0.68126 0.87337 1.00000
Bi2 Bi 0.97037 0.03376 0.31613 1.00000
Bi3 Bi 0.02963 0.96624 0.68387 1.00000
Bi4 Bi 0.35461 0.31874 0.12663 1.00000
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