Li5Zn8Pt
Alexandria ALEXAlex-ID: agm003681069 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_72_spg82
LiZn2 LiZn2Pt Li3Zn4
2022-04-10 11:13:15.199410
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003681069).
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 agm003681069
data_agm003681069
_cell_length_a 6.58807
_cell_length_b 6.58807
_cell_length_c 6.58807
_cell_angle_alpha 108.09425
_cell_angle_beta 112.26172
_cell_angle_gamma 108.09425
_cell_volume 219.72306
_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 0.00017 0.29391 0.08238 1.00000
Li2 Li 0.91762 0.91778 0.21152 1.00000
Li3 Li 0.78848 0.70609 0.70626 1.00000
Li4 Li 0.50000 0.00000 0.50000 1.00000
Li5 Li 0.29374 0.08222 0.99983 1.00000
Zn1 Zn 0.11672 0.67825 0.05223 1.00000
Zn2 Zn 0.94776 0.06448 0.62602 1.00000
Zn3 Zn 0.76846 0.28397 0.37180 1.00000
Zn4 Zn 0.62820 0.39665 0.91217 1.00000
Zn5 Zn 0.51552 0.60335 0.23154 1.00000
Zn6 Zn 0.56153 0.93552 0.88328 1.00000
Zn7 Zn 0.37398 0.32175 0.43847 1.00000
Zn8 Zn 0.08783 0.71603 0.48448 1.00000
Pt1 Pt 0.25000 0.50000 0.75000 1.00000
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