Li3(ZrAu)2
Alexandria ALEXAlex-ID: agm010100570 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_21_spg12
Zr3Au LiZrAu Li3Au
2024-06-24 11:51:43.804780
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010100570).
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 agm010100570
data_agm010100570
_cell_length_a 5.25129
_cell_length_b 5.25129
_cell_length_c 8.98071
_cell_angle_alpha 66.37387
_cell_angle_beta 66.37387
_cell_angle_gamma 37.30015
_cell_volume 135.98908
_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 0.50000 0.50000 0.50000 1.00000
Li2 Li 0.37854 0.37854 0.96089 1.00000
Li3 Li 0.62146 0.62146 0.03911 1.00000
Zr1 Zr 0.16172 0.16172 0.65564 1.00000
Zr2 Zr 0.83828 0.83828 0.34436 1.00000
Au1 Au 0.15131 0.15131 0.26182 1.00000
Au2 Au 0.84869 0.84869 0.73818 1.00000
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