BaNa7Li5
Alexandria ALEXAlex-ID: agm003679955 · Space group: Imm2 (#44)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C7_7_spg44
Ba19Na29Li13 Na Li
2022-04-10 06:55:37.072336
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003679955).
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 agm003679955
data_agm003679955
_cell_length_a 6.34262
_cell_length_b 8.76148
_cell_length_c 8.76148
_cell_angle_alpha 81.88365
_cell_angle_beta 68.77934
_cell_angle_gamma 68.77934
_cell_volume 423.06367
_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 0.00817 0.99183 0.99183 1.00000
Na1 Na 0.65397 0.34603 0.34603 1.00000
Na2 Na 0.34956 0.65044 0.65044 1.00000
Na3 Na 0.99528 0.35563 0.65381 1.00000
Na4 Na 0.99528 0.65381 0.35563 1.00000
Na5 Na 0.27836 0.22164 0.22164 1.00000
Na6 Na 0.50197 0.78695 0.20912 1.00000
Na7 Na 0.50197 0.20912 0.78695 1.00000
Li1 Li 0.50069 0.99389 0.50926 1.00000
Li2 Li 0.99617 0.99389 0.50926 1.00000
Li3 Li 0.50069 0.50926 0.99389 1.00000
Li4 Li 0.99617 0.50926 0.99389 1.00000
Li5 Li 0.72174 0.77826 0.77826 1.00000
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