Na2Ga2Sn3
Alexandria ALEXAlex-ID: agm003306992 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_6_spg65
NaGaSn Sn
2022-02-03 18:11:57.189144
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003306992).
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 agm003306992
data_agm003306992
_cell_length_a 3.33270
_cell_length_b 4.79845
_cell_length_c 10.96515
_cell_angle_alpha 102.63884
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 171.10348
_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 0.84346 0.68691 1.00000
Na2 Na 0.00000 0.15654 0.31309 1.00000
Ga1 Ga 0.50000 0.71910 0.43819 1.00000
Ga2 Ga 0.50000 0.28090 0.56181 1.00000
Sn1 Sn 0.50000 0.57833 0.15667 1.00000
Sn2 Sn 0.50000 0.42167 0.84333 1.00000
Sn3 Sn 0.00000 0.00000 0.00000 1.00000
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