Rb3(AlAs2)2
Alexandria ALEXAlex-ID: agm005658796 · 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_599_spg12
Rb2As3 Rb3Al3As4 RbAs
2023-06-26 16:32:19.613807
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658796).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm005658796
data_agm005658796
_cell_length_a 4.15199
_cell_length_b 8.12558
_cell_length_c 9.55832
_cell_angle_alpha 118.80356
_cell_angle_beta 102.54047
_cell_angle_gamma 90.00444
_cell_volume 273.75996
_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 0.14847 0.52901 0.29703 1.00000
Rb2 Rb 0.85153 0.47099 0.70297 1.00000
Rb3 Rb 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.67437 0.92413 0.34870 1.00000
Al2 Al 0.32563 0.07587 0.65130 1.00000
As1 As 0.52143 0.66622 0.04287 1.00000
As2 As 0.20292 0.13028 0.40575 1.00000
As3 As 0.47857 0.33378 0.95713 1.00000
As4 As 0.79708 0.86972 0.59425 1.00000
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