NaLiSn4
Alexandria ALEXAlex-ID: agm005781069 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1127_spg36
Na3Sn8 LiSn Sn
2023-07-29 02:48:20.938639
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005781069).
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 agm005781069
data_agm005781069
_cell_length_a 5.86129
_cell_length_b 6.36808
_cell_length_c 8.97049
_cell_angle_alpha 90.00000
_cell_angle_beta 109.06849
_cell_angle_gamma 90.00000
_cell_volume 316.45237
_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 0.65968 0.71097 0.31937 1.00000
Na2 Na 0.34032 0.21097 0.68063 1.00000
Li1 Li 0.84846 0.94311 0.69693 1.00000
Li2 Li 0.15154 0.44311 0.30307 1.00000
Sn1 Sn 0.98315 0.25134 0.96630 1.00000
Sn2 Sn 0.01685 0.75134 0.03370 1.00000
Sn3 Sn 0.47277 0.84909 0.94555 1.00000
Sn4 Sn 0.52723 0.34909 0.05445 1.00000
Sn5 Sn 0.82848 0.49219 0.65696 1.00000
Sn6 Sn 0.17152 0.99219 0.34304 1.00000
Sn7 Sn 0.69282 0.18671 0.38565 1.00000
Sn8 Sn 0.30718 0.68671 0.61435 1.00000
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