Rb(Ga2Au)2
Alexandria ALEXAlex-ID: agm024443820 · 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
AB2C4_27_spg166
RbGa3 Ga2Au Rb(GaAu)4
2025-06-12 03:29:22
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024443820).
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 agm024443820
data_agm024443820
_cell_length_a 4.40761
_cell_length_b 4.40761
_cell_length_c 10.49114
_cell_angle_alpha 77.81150
_cell_angle_beta 102.18850
_cell_angle_gamma 120.00418
_cell_volume 171.17353
_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 0.50000 1.00000
Ga1 Ga 0.13746 0.86254 0.91013 1.00000
Ga2 Ga 0.86254 0.13746 0.08987 1.00000
Ga3 Ga 0.58129 0.41871 0.24587 1.00000
Ga4 Ga 0.41871 0.58129 0.75413 1.00000
Au1 Au 0.77422 0.22578 0.82054 1.00000
Au2 Au 0.22578 0.77422 0.17946 1.00000
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