Ba8Li13AlBi12
Alexandria ALEXAlex-ID: agm009021898 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB8C12D13_0_spg8
Ba3(LiBi)4 LiAl19 Ba(Li2Bi)2 Ba(LiBi)2
2025-01-21 03:34:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009021898).
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 agm009021898
data_agm009021898
_cell_length_a 9.66602
_cell_length_b 9.66602
_cell_length_c 21.68139
_cell_angle_alpha 83.13624
_cell_angle_beta 96.86376
_cell_angle_gamma 149.51516
_cell_volume 1019.76244
_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 0.11655 0.88345 0.03907 1.00000
Ba2 Ba 0.61401 0.38599 0.54590 1.00000
Ba3 Ba 0.38760 0.61240 0.46002 1.00000
Ba4 Ba 0.88671 0.11329 0.95625 1.00000
Ba5 Ba 0.56715 0.43285 0.33037 1.00000
Ba6 Ba 0.07054 0.92946 0.82715 1.00000
Ba7 Ba 0.92841 0.07159 0.16901 1.00000
Ba8 Ba 0.43006 0.56994 0.67331 1.00000
Li1 Li 0.88870 0.11130 0.34139 1.00000
Li2 Li 0.38596 0.61404 0.84169 1.00000
Li3 Li 0.61682 0.38318 0.15803 1.00000
Li4 Li 0.11936 0.88064 0.65982 1.00000
Li5 Li 0.18609 0.81391 0.45328 1.00000
Li6 Li 0.69142 0.30858 0.95343 1.00000
Li7 Li 0.31062 0.68938 0.04511 1.00000
Li8 Li 0.81351 0.18649 0.55099 1.00000
Li9 Li 0.75127 0.24873 0.24429 1.00000
Li10 Li 0.25126 0.74874 0.75571 1.00000
Li11 Li 0.74172 0.25828 0.82732 1.00000
Li12 Li 0.25819 0.74181 0.16974 1.00000
Li13 Li 0.75860 0.24140 0.67424 1.00000
Al1 Al 0.24102 0.75898 0.32648 1.00000
Bi1 Bi 0.74970 0.25030 0.40113 1.00000
Bi2 Bi 0.25063 0.74937 0.90841 1.00000
Bi3 Bi 0.75008 0.24992 0.09403 1.00000
Bi4 Bi 0.25098 0.74902 0.58677 1.00000
Bi5 Bi 0.02363 0.97637 0.43524 1.00000
Bi6 Bi 0.52502 0.47498 0.93561 1.00000
Bi7 Bi 0.47817 0.52183 0.06647 1.00000
Bi8 Bi 0.97722 0.02278 0.56588 1.00000
Bi9 Bi 0.37312 0.62688 0.27373 1.00000
Bi10 Bi 0.87704 0.12296 0.77329 1.00000
Bi11 Bi 0.12370 0.87630 0.23013 1.00000
Bi12 Bi 0.62407 0.37593 0.72672 1.00000
