Na3(MgSn)2
Alexandria ALEXAlex-ID: agm005559366 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_30_spg166
Na2Mg12Sn7 Na2MgSn NaSn
2023-06-09 10:18:47.338443
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005559366).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005559366
data_agm005559366
_cell_length_a 5.07058
_cell_length_b 5.07058
_cell_length_c 8.61744
_cell_angle_alpha 89.32709
_cell_angle_beta 107.61776
_cell_angle_gamma 120.36991
_cell_volume 179.48374
_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 0.00000 0.00000 0.00000 1.00000
Na2 Na 0.71957 0.86045 0.58002 1.00000
Na3 Na 0.28043 0.13955 0.41998 1.00000
Mg1 Mg 0.43177 0.71788 0.14965 1.00000
Mg2 Mg 0.56823 0.28212 0.85035 1.00000
Sn1 Sn 0.17354 0.58578 0.75932 1.00000
Sn2 Sn 0.82646 0.41422 0.24068 1.00000
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