Sr2GaSn5
Alexandria ALEXAlex-ID: agm003469852 · 空间群: I4mm (#107)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_414_spg107
Sr3Sn5 SrSn3 SrGa4
2022-03-23 20:32:00.548525
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003469852).
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 agm003469852
data_agm003469852
_cell_length_a 6.60095
_cell_length_b 6.60092
_cell_length_c 7.09767
_cell_angle_alpha 117.71064
_cell_angle_beta 117.71145
_cell_angle_gamma 89.99998
_cell_volume 232.98035
_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
Sr1 Sr 0.20189 0.70196 0.40386 1.00000
Sr2 Sr 0.70196 0.20188 0.40386 1.00000
Ga1 Ga 0.27056 0.27054 0.54096 1.00000
Sn1 Sn 0.70614 0.21267 0.91890 1.00000
Sn2 Sn 0.21279 0.21280 0.91911 1.00000
Sn3 Sn 0.70613 0.70614 0.91879 1.00000
Sn4 Sn 0.21267 0.70614 0.91889 1.00000
Sn5 Sn 0.76487 0.76486 0.52964 1.00000
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