Rb3(InSn2)2
Alexandria ALEXAlex-ID: agm005663601 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_450_spg12
RbSn2 RbInSn
2023-06-28 01:24:38.626748
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005663601).
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 agm005663601
data_agm005663601
_cell_length_a 4.88714
_cell_length_b 7.67438
_cell_length_c 12.79356
_cell_angle_alpha 53.56183
_cell_angle_beta 78.98885
_cell_angle_gamma 71.43340
_cell_volume 365.93252
_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 0.33625 0.66270 0.66481 1.00000
Rb2 Rb 0.00000 0.00000 0.00000 1.00000
Rb3 Rb 0.66375 0.33730 0.33519 1.00000
In1 In 0.40180 0.93069 0.26571 1.00000
In2 In 0.59820 0.06931 0.73429 1.00000
Sn1 Sn 0.25774 0.40801 0.07651 1.00000
Sn2 Sn 0.74226 0.59199 0.92349 1.00000
Sn3 Sn 0.07114 0.26106 0.59666 1.00000
Sn4 Sn 0.92886 0.73894 0.40334 1.00000
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