Li3ZnBi3
Alexandria ALEXAlex-ID: agm003545232 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_295_spg12
Zn LiBi
2022-03-25 11:22:11.556548
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003545232).
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 agm003545232
data_agm003545232
_cell_length_a 7.67029
_cell_length_b 7.67029
_cell_length_c 7.08024
_cell_angle_alpha 98.79816
_cell_angle_beta 98.79816
_cell_angle_gamma 115.58558
_cell_volume 359.90421
_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 0.57676 0.57676 0.35739 1.00000
Li2 Li 0.11217 0.88783 0.50000 1.00000
Li3 Li 0.88783 0.11217 0.50000 1.00000
Li4 Li 0.16973 0.83027 0.00000 1.00000
Li5 Li 0.83027 0.16973 0.00000 1.00000
Li6 Li 0.42324 0.42324 0.64261 1.00000
Zn1 Zn 0.84387 0.84387 0.74505 1.00000
Zn2 Zn 0.15613 0.15613 0.25495 1.00000
Bi1 Bi 0.79336 0.79336 0.12430 1.00000
Bi2 Bi 0.87140 0.48472 0.66434 1.00000
Bi3 Bi 0.48472 0.87140 0.66434 1.00000
Bi4 Bi 0.12860 0.51528 0.33566 1.00000
Bi5 Bi 0.51528 0.12860 0.33566 1.00000
Bi6 Bi 0.20664 0.20664 0.87570 1.00000
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