Cs2RbSn
Alexandria ALEXAlex-ID: agm005498816 · 空间群: I-42d (#122)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_234_spg122
Cs Rb CsSn
2023-03-19 03:35:56.552709
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005498816).
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 agm005498816
data_agm005498816
_cell_length_a 14.48796
_cell_length_b 14.48796
_cell_length_c 14.48796
_cell_angle_alpha 156.44375
_cell_angle_beta 156.44375
_cell_angle_gamma 33.55701
_cell_volume 485.25388
_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
Cs1 Cs 0.64010 0.12500 0.01510 1.00000
Cs2 Cs 0.10990 0.62500 0.98490 1.00000
Cs3 Cs 0.87500 0.89010 0.51510 1.00000
Cs4 Cs 0.37500 0.35990 0.48490 1.00000
Rb1 Rb 0.25000 0.75000 0.50000 1.00000
Rb2 Rb 0.50000 0.50000 0.00000 1.00000
Sn1 Sn 0.75000 0.25000 0.50000 1.00000
Sn2 Sn 0.00000 0.00000 0.00000 1.00000
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