Na2SrSn6
Alexandria ALEXAlex-ID: agm005606760 · 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
AB2C6_648_spg12
NaSn2 Na10SrSn12 SrSn3
2023-07-08 19:22:36.973053
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005606760).
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 agm005606760
data_agm005606760
_cell_length_a 6.35075
_cell_length_b 6.34696
_cell_length_c 6.34696
_cell_angle_alpha 95.07547
_cell_angle_beta 95.18983
_cell_angle_gamma 95.18982
_cell_volume 252.53209
_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 0.65729 0.65660 0.65660 1.00000
Na2 Na 0.34271 0.34340 0.34340 1.00000
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.16884 0.50018 0.83181 1.00000
Sn2 Sn 0.83116 0.16819 0.49982 1.00000
Sn3 Sn 0.83116 0.49982 0.16819 1.00000
Sn4 Sn 0.50000 0.16855 0.83145 1.00000
Sn5 Sn 0.16884 0.83181 0.50018 1.00000
Sn6 Sn 0.50000 0.83145 0.16855 1.00000
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