Na12LiSn6
Alexandria ALEXAlex-ID: agm006113629 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C12_165_spg166
Na9Sn4 Li8Sn3 NaSn
2023-09-03 19:39:02.839915
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006113629).
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 agm006113629
data_agm006113629
_cell_length_a 8.16298
_cell_length_b 8.16297
_cell_length_c 8.16297
_cell_angle_alpha 86.80257
_cell_angle_beta 86.80257
_cell_angle_gamma 86.80256
_cell_volume 541.48358
_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 0.48458 0.18171 0.58442 1.00000
Na2 Na 0.18171 0.58442 0.48458 1.00000
Na3 Na 0.58442 0.48458 0.18171 1.00000
Na4 Na 0.51542 0.81829 0.41558 1.00000
Na5 Na 0.81829 0.41558 0.51542 1.00000
Na6 Na 0.41558 0.51542 0.81829 1.00000
Na7 Na 0.85846 0.96113 0.61910 1.00000
Na8 Na 0.38090 0.14154 0.03887 1.00000
Na9 Na 0.03887 0.38090 0.14154 1.00000
Na10 Na 0.14154 0.03887 0.38090 1.00000
Na11 Na 0.61910 0.85846 0.96113 1.00000
Na12 Na 0.96113 0.61910 0.85846 1.00000
Li1 Li 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.11827 0.25014 0.74757 1.00000
Sn2 Sn 0.74986 0.25243 0.88173 1.00000
Sn3 Sn 0.25243 0.88173 0.74986 1.00000
Sn4 Sn 0.88173 0.74986 0.25243 1.00000
Sn5 Sn 0.25014 0.74757 0.11827 1.00000
Sn6 Sn 0.74757 0.11827 0.25014 1.00000
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