Rb3In7Ni2
Alexandria ALEXAlex-ID: agm024443513 · 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
A2B3C7_319_spg12
Rb8In11 InNi RbIn4
2025-05-17 05:24:17
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024443513).
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 agm024443513
data_agm024443513
_cell_length_a 7.12056
_cell_length_b 7.12056
_cell_length_c 9.34730
_cell_angle_alpha 67.60871
_cell_angle_beta 112.39129
_cell_angle_gamma 120.41266
_cell_volume 367.23846
_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 0.00000 0.00000 0.00000 1.00000
Rb2 Rb 0.84793 0.15207 0.54504 1.00000
Rb3 Rb 0.15207 0.84793 0.45496 1.00000
In1 In 0.50000 0.50000 0.50000 1.00000
In2 In 0.45295 0.09763 0.81060 1.00000
In3 In 0.90237 0.54705 0.81060 1.00000
In4 In 0.45434 0.54566 0.81081 1.00000
In5 In 0.54705 0.90237 0.18940 1.00000
In6 In 0.54566 0.45434 0.18919 1.00000
In7 In 0.09763 0.45295 0.18940 1.00000
Ni1 Ni 0.68212 0.31788 0.04834 1.00000
Ni2 Ni 0.31788 0.68212 0.95166 1.00000
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