BaNaAl
Alexandria ALEXAlex-ID: agm005659426 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_143_spg164
BaNa Ba4Al5 Na
2023-06-19 10:47:34.941557
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659426).
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 agm005659426
data_agm005659426
_cell_length_a 4.54786
_cell_length_b 4.54819
_cell_length_c 14.27936
_cell_angle_alpha 89.99503
_cell_angle_beta 90.01653
_cell_angle_gamma 59.99854
_cell_volume 255.78757
_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 0.29577 0.64489 0.46173 1.00000
Ba2 Ba 0.29522 0.64528 0.11984 1.00000
Na1 Na 0.62909 0.97872 0.70091 1.00000
Na2 Na 0.96127 0.31286 0.88065 1.00000
Al1 Al 0.62890 0.97828 0.29201 1.00000
Al2 Al 0.96221 0.31163 0.28956 1.00000
