Li6Zn2Pt
Alexandria ALEXAlex-ID: agm005652115 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_648_spg12
Li2Zn Li4ZnPt
2023-07-08 13:04:26.331486
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652115).
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 agm005652115
data_agm005652115
_cell_length_a 5.12201
_cell_length_b 5.12639
_cell_length_c 5.12639
_cell_angle_alpha 96.83224
_cell_angle_beta 96.78079
_cell_angle_gamma 96.78079
_cell_volume 131.51825
_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 0.16071 0.50011 0.83915 1.00000
Li2 Li 0.83929 0.16085 0.49989 1.00000
Li3 Li 0.83929 0.49989 0.16085 1.00000
Li4 Li 0.50000 0.16080 0.83920 1.00000
Li5 Li 0.16071 0.83915 0.50011 1.00000
Li6 Li 0.50000 0.83920 0.16080 1.00000
Zn1 Zn 0.66741 0.66749 0.66749 1.00000
Zn2 Zn 0.33259 0.33251 0.33251 1.00000
Pt1 Pt 0.00000 0.00000 0.00000 1.00000
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