Na3(Ga2Sn)2
Alexandria ALEXAlex-ID: agm005673755 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_664_spg12
NaGa4 NaSn
2023-06-27 11:19:15.359532
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005673755).
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 agm005673755
data_agm005673755
_cell_length_a 4.69920
_cell_length_b 5.82991
_cell_length_c 9.28687
_cell_angle_alpha 69.82157
_cell_angle_beta 75.34476
_cell_angle_gamma 66.23259
_cell_volume 216.62060
_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 0.30513 0.75243 0.63732 1.00000
Na2 Na 0.00000 0.00000 0.00000 1.00000
Na3 Na 0.69487 0.24757 0.36268 1.00000
Ga1 Ga 0.30390 0.38522 0.00698 1.00000
Ga2 Ga 0.69610 0.61478 0.99302 1.00000
Ga3 Ga 0.00387 0.35534 0.63692 1.00000
Ga4 Ga 0.99613 0.64466 0.36308 1.00000
Sn1 Sn 0.42793 0.89806 0.24608 1.00000
Sn2 Sn 0.57207 0.10194 0.75392 1.00000
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