Li7Y3Au4
Alexandria ALEXAlex-ID: agm005697357 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C7_34_spg12
Li15Au4 LiYAu Li
2023-06-29 16:38:00.548691
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697357).
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 agm005697357
data_agm005697357
_cell_length_a 4.17661
_cell_length_b 8.13042
_cell_length_c 8.99556
_cell_angle_alpha 74.42634
_cell_angle_beta 76.57642
_cell_angle_gamma 75.11673
_cell_volume 279.97797
_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 0.32645 0.84297 0.50412 1.00000
Li2 Li 0.48024 0.22289 0.81663 1.00000
Li3 Li 0.83264 0.40065 0.93407 1.00000
Li4 Li 0.67355 0.15703 0.49588 1.00000
Li5 Li 0.16736 0.59935 0.06593 1.00000
Li6 Li 0.00000 0.00000 0.00000 1.00000
Li7 Li 0.51976 0.77711 0.18337 1.00000
Y1 Y 0.29685 0.17969 0.22661 1.00000
Y2 Y 0.70315 0.82031 0.77339 1.00000
Y3 Y 0.00000 0.50000 0.50000 1.00000
Au1 Au 0.65393 0.43968 0.25246 1.00000
Au2 Au 0.34607 0.56032 0.74754 1.00000
Au3 Au 0.89448 0.89474 0.31629 1.00000
Au4 Au 0.10552 0.10526 0.68371 1.00000
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