Na3Sn6Hg
Alexandria ALEXAlex-ID: agm006010355 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_1213_spg71
NaSn2 Na5(Sn5Hg)2
2023-09-18 04:30:26
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006010355).
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 agm006010355
data_agm006010355
_cell_length_a 3.40821
_cell_length_b 6.41724
_cell_length_c 26.12758
_cell_angle_alpha 90.00007
_cell_angle_beta 91.81983
_cell_angle_gamma 89.99770
_cell_volume 571.15634
_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 0.51057 0.00015 0.79622 1.00000
Na2 Na 0.50000 0.50000 0.00000 1.00000
Na3 Na 0.48943 0.99985 0.20378 1.00000
Na4 Na 0.01042 0.49985 0.29616 1.00000
Na5 Na 0.00000 0.00000 0.50000 1.00000
Na6 Na 0.98958 0.50015 0.70384 1.00000
Sn1 Sn 0.03274 0.74720 0.89482 1.00000
Sn2 Sn 0.46718 0.75266 0.60519 1.00000
Sn3 Sn 0.48457 0.50004 0.18610 1.00000
Sn4 Sn 0.51543 0.49996 0.81390 1.00000
Sn5 Sn 0.53282 0.24734 0.39481 1.00000
Sn6 Sn 0.96726 0.25280 0.10518 1.00000
Sn7 Sn 0.53274 0.75282 0.39482 1.00000
Sn8 Sn 0.96717 0.74736 0.10519 1.00000
Sn9 Sn 0.98463 0.99996 0.68611 1.00000
Sn10 Sn 0.01537 0.00004 0.31389 1.00000
Sn11 Sn 0.03283 0.25264 0.89481 1.00000
Sn12 Sn 0.46726 0.24718 0.60518 1.00000
Hg1 Hg 0.50000 0.50000 0.50000 1.00000
Hg2 Hg 0.00000 0.00000 0.00000 1.00000
