Ba8Li6Au
Alexandria ALEXAlex-ID: agm072175759 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_397_spg148
Li15Au4 Ba Li
2024-10-06 15:48:47.495409
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072175759).
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 agm072175759
data_agm072175759
_cell_length_a 8.66265
_cell_length_b 8.66265
_cell_length_c 8.66265
_cell_angle_alpha 88.85519
_cell_angle_beta 88.85519
_cell_angle_gamma 88.85519
_cell_volume 649.67314
_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
Ba1 Ba 0.78381 0.78381 0.78381 1.00000
Ba2 Ba 0.21619 0.21619 0.21619 1.00000
Ba3 Ba 0.22171 0.64920 0.91898 1.00000
Ba4 Ba 0.64920 0.91898 0.22171 1.00000
Ba5 Ba 0.91898 0.22171 0.64920 1.00000
Ba6 Ba 0.77829 0.35080 0.08102 1.00000
Ba7 Ba 0.35080 0.08102 0.77829 1.00000
Ba8 Ba 0.08102 0.77829 0.35080 1.00000
Li1 Li 0.73704 0.54046 0.45531 1.00000
Li2 Li 0.54046 0.45531 0.73704 1.00000
Li3 Li 0.45531 0.73704 0.54046 1.00000
Li4 Li 0.26296 0.45954 0.54469 1.00000
Li5 Li 0.45954 0.54469 0.26296 1.00000
Li6 Li 0.54469 0.26296 0.45954 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
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