Na3(LiSn2)2
Alexandria ALEXAlex-ID: agm005663607 · Space group: Cccm (#66)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_520_spg66
Li2Sn NaSn
2023-06-30 20:24:22.266735
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005663607).
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 agm005663607
data_agm005663607
_cell_length_a 6.41307
_cell_length_b 9.00269
_cell_length_c 9.00270
_cell_angle_alpha 61.44323
_cell_angle_beta 89.85003
_cell_angle_gamma 89.85003
_cell_volume 456.53468
_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 0.75022 0.16166 0.16216 1.00000
Na2 Na 0.74978 0.83784 0.83834 1.00000
Na3 Na 0.24978 0.83834 0.83784 1.00000
Na4 Na 0.25022 0.16216 0.16166 1.00000
Na5 Na 0.25000 0.49999 0.50001 1.00000
Na6 Na 0.75000 0.50001 0.49999 1.00000
Li1 Li 0.50167 0.18335 0.49903 1.00000
Li2 Li 0.99833 0.50097 0.81665 1.00000
Li3 Li 0.49833 0.81665 0.50097 1.00000
Li4 Li 0.00167 0.49903 0.18335 1.00000
Sn1 Sn 0.49990 0.81731 0.17074 1.00000
Sn2 Sn 0.00010 0.82926 0.18269 1.00000
Sn3 Sn 0.50010 0.18269 0.82926 1.00000
Sn4 Sn 0.99990 0.17074 0.81731 1.00000
Sn5 Sn 0.00231 0.17251 0.47783 1.00000
Sn6 Sn 0.49769 0.52217 0.82749 1.00000
Sn7 Sn 0.99769 0.82749 0.52217 1.00000
Sn8 Sn 0.50231 0.47783 0.17251 1.00000
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