Rb3(InAs2)2
Alexandria ALEXAlex-ID: agm005687558 · 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_39_spg12
Rb2As3 Rb3In3As4 RbAs
2023-06-26 17:37:31.376271
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005687558).
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 agm005687558
data_agm005687558
_cell_length_a 4.42494
_cell_length_b 8.11339
_cell_length_c 9.69473
_cell_angle_alpha 116.34863
_cell_angle_beta 103.19254
_cell_angle_gamma 90.00437
_cell_volume 301.60611
_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 0.14971 0.53684 0.29950 1.00000
Rb2 Rb 0.85029 0.46316 0.70050 1.00000
Rb3 Rb 0.00000 0.00000 0.00000 1.00000
In1 In 0.66791 0.92711 0.33579 1.00000
In2 In 0.33209 0.07289 0.66421 1.00000
As1 As 0.51097 0.65713 0.02192 1.00000
As2 As 0.20414 0.15236 0.40818 1.00000
As3 As 0.48903 0.34287 0.97808 1.00000
As4 As 0.79586 0.84764 0.59182 1.00000
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