Rb2InSn6
Alexandria ALEXAlex-ID: agm005665256 · 空间群: P-3m1 (#164)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_687_spg164
RbSn2 RbInSn Rb4Sn23
2023-07-12 22:11:58.627857
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005665256).
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 agm005665256
data_agm005665256
_cell_length_a 6.79696
_cell_length_b 7.06602
_cell_length_c 7.06615
_cell_angle_alpha 119.99937
_cell_angle_beta 90.00905
_cell_angle_gamma 90.00000
_cell_volume 293.90421
_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
Rb1 Rb 0.86367 0.66665 0.33330 1.00000
Rb2 Rb 0.13633 0.33335 0.66670 1.00000
In1 In 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.34617 0.35584 0.17796 1.00000
Sn2 Sn 0.34619 0.82210 0.64420 1.00000
Sn3 Sn 0.34617 0.82212 0.17796 1.00000
Sn4 Sn 0.65383 0.64416 0.82204 1.00000
Sn5 Sn 0.65381 0.17790 0.35580 1.00000
Sn6 Sn 0.65383 0.17788 0.82204 1.00000
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