Ba3(AlBi2)2
Alexandria ALEXAlex-ID: agm005644147 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_350_spg15
Ba2Bi3 Ba3AlBi3 Al
2023-06-26 17:12:47.085743
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644147).
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 agm005644147
data_agm005644147
_cell_length_a 8.31089
_cell_length_b 10.17498
_cell_length_c 9.81003
_cell_angle_alpha 121.23840
_cell_angle_beta 96.05483
_cell_angle_gamma 90.00002
_cell_volume 703.87526
_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 0.15122 0.77307 0.72389 1.00000
Ba2 Ba 0.34878 0.04918 0.27611 1.00000
Ba3 Ba 0.84878 0.22693 0.27611 1.00000
Ba4 Ba 0.65122 0.95082 0.72389 1.00000
Ba5 Ba 0.75000 0.46971 1.00000 1.00000
Ba6 Ba 0.25000 0.53029 0.00000 1.00000
Al1 Al 0.48415 0.52893 0.37971 1.00000
Al2 Al 0.01585 0.14922 0.62029 1.00000
Al3 Al 0.51585 0.47107 0.62029 1.00000
Al4 Al 0.98415 0.85078 0.37971 1.00000
Bi1 Bi 0.55890 0.74941 0.93075 1.00000
Bi2 Bi 0.94110 0.81866 0.06925 1.00000
Bi3 Bi 0.44110 0.25059 0.06925 1.00000
Bi4 Bi 0.05890 0.18134 0.93075 1.00000
Bi5 Bi 0.82358 0.62612 0.41929 1.00000
Bi6 Bi 0.67642 0.20682 0.58071 1.00000
Bi7 Bi 0.17642 0.37388 0.58071 1.00000
Bi8 Bi 0.32358 0.79318 0.41929 1.00000
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