Rb2In3AgBi4
Alexandria ALEXAlex-ID: agm004530002 · 空间群: P-4m2 (#115)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3D4_52_spg115
In2Ag5 RbBi2 In
2022-06-22 16:33:08.442608
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004530002).
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 agm004530002
data_agm004530002
_cell_length_a 5.54141
_cell_length_b 5.54141
_cell_length_c 11.56368
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 355.08881
_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 0.25712 1.00000
Rb2 Rb 0.00000 0.50000 0.74288 1.00000
In1 In 0.00000 0.00000 0.50000 1.00000
In2 In 0.50000 0.00000 0.87651 1.00000
In3 In 0.00000 0.50000 0.12349 1.00000
Ag1 Ag 0.50000 0.50000 0.50000 1.00000
Bi1 Bi 0.50000 0.50000 0.00000 1.00000
Bi2 Bi 0.00000 0.00000 0.00000 1.00000
Bi3 Bi 0.50000 0.00000 0.61802 1.00000
Bi4 Bi 0.00000 0.50000 0.38198 1.00000
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