NaSr4Li5
Alexandria ALEXAlex-ID: agm006046572 · Space group: I4mm (#107)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5_159_spg107
Na Sr Li
2023-10-11 08:19:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006046572).
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
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# CIF generated by HEAS from Alexandria entry agm006046572
data_agm006046572
_cell_length_a 5.83576
_cell_length_b 8.44338
_cell_length_c 8.44338
_cell_angle_alpha 83.14098
_cell_angle_beta 69.78269
_cell_angle_gamma 69.78268
_cell_volume 366.34980
_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
Na1 Na 0.19734 1.00000 1.00000 1.00000
Sr1 Sr 0.75465 0.70047 0.70047 1.00000
Sr2 Sr 0.45512 0.29953 0.70047 1.00000
Sr3 Sr 0.45513 0.70047 0.29953 1.00000
Sr4 Sr 0.15560 0.29953 0.29953 1.00000
Li1 Li 0.11714 0.64620 0.00001 1.00000
Li2 Li 0.11715 0.99999 0.64620 1.00000
Li3 Li 0.76334 0.00001 0.35380 1.00000
Li4 Li 0.76334 0.35380 0.99999 1.00000
Li5 Li 0.71089 1.00000 1.00000 1.00000
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