Rb5Cd2Au5
Alexandria ALEXAlex-ID: agm003373689 · 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
A2B5C5_24_spg12
Rb2Cd3Au2 RbAu
2022-02-08 21:09:39.967543
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003373689).
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 agm003373689
data_agm003373689
_cell_length_a 4.95884
_cell_length_b 7.87730
_cell_length_c 12.73353
_cell_angle_alpha 103.54008
_cell_angle_beta 90.00000
_cell_angle_gamma 108.34603
_cell_volume 457.53112
_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 0.50000 0.00000 0.50000 1.00000
Rb2 Rb 0.65829 0.31658 0.06566 1.00000
Rb3 Rb 0.76182 0.52364 0.36645 1.00000
Rb4 Rb 0.23818 0.47636 0.63355 1.00000
Rb5 Rb 0.34171 0.68342 0.93434 1.00000
Cd1 Cd 0.06602 0.13203 0.81173 1.00000
Cd2 Cd 0.93398 0.86797 0.18827 1.00000
Au1 Au 0.09655 0.19310 0.36432 1.00000
Au2 Au 0.64919 0.29838 0.78683 1.00000
Au3 Au 0.35081 0.70162 0.21317 1.00000
Au4 Au 0.90345 0.80690 0.63568 1.00000
Au5 Au 0.00000 0.00000 0.00000 1.00000
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