Na3(MgSn2)2
Alexandria ALEXAlex-ID: agm005670074 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_34_spg12
Mg2Sn NaSn
2023-06-27 11:11:28.472715
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005670074).
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 agm005670074
data_agm005670074
_cell_length_a 4.76749
_cell_length_b 6.69324
_cell_length_c 9.76203
_cell_angle_alpha 65.33529
_cell_angle_beta 75.86631
_cell_angle_gamma 69.13656
_cell_volume 262.84375
_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 0.39201 0.51793 0.69804 1.00000
Na2 Na 0.00000 0.00000 0.00000 1.00000
Na3 Na 0.60799 0.48207 0.30196 1.00000
Mg1 Mg 0.30527 0.01670 0.37276 1.00000
Mg2 Mg 0.69473 0.98330 0.62724 1.00000
Sn1 Sn 0.27528 0.37539 0.07405 1.00000
Sn2 Sn 0.72472 0.62461 0.92595 1.00000
Sn3 Sn 0.07345 0.25862 0.59447 1.00000
Sn4 Sn 0.92655 0.74138 0.40553 1.00000
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