Rb2In6SnAu
Alexandria ALEXAlex-ID: agm004966366 · 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
ABC2D6_703_spg166
Rb3(InAu)4 RbIn4 Rb3Sn4Au In2Au
2022-08-02 07:20:58.558094
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004966366).
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 agm004966366
data_agm004966366
_cell_length_a 8.13695
_cell_length_b 8.13695
_cell_length_c 13.48684
_cell_angle_alpha 72.44253
_cell_angle_beta 72.44253
_cell_angle_gamma 60.00000
_cell_volume 724.89601
_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 0.84931 0.84931 0.45206 1.00000
Rb2 Rb 0.15069 0.15069 0.54794 1.00000
Rb3 Rb 0.71459 0.71459 0.85624 1.00000
Rb4 Rb 0.28541 0.28541 0.14376 1.00000
In1 In 0.82947 0.41858 0.33337 1.00000
In2 In 0.41858 0.82947 0.33337 1.00000
In3 In 0.41858 0.41858 0.33337 1.00000
In4 In 0.17053 0.58142 0.66663 1.00000
In5 In 0.58142 0.17053 0.66663 1.00000
In6 In 0.58142 0.58142 0.66663 1.00000
In7 In 0.79972 0.18788 0.82451 1.00000
In8 In 0.18788 0.79972 0.82451 1.00000
In9 In 0.18788 0.18788 0.82451 1.00000
In10 In 0.20028 0.81212 0.17549 1.00000
In11 In 0.81212 0.20028 0.17549 1.00000
In12 In 0.81212 0.81212 0.17549 1.00000
Sn1 Sn 0.62374 0.62374 0.12879 1.00000
Sn2 Sn 0.37626 0.37626 0.87121 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
Au2 Au 0.50000 0.50000 0.50000 1.00000
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