Rb2Ga2Sn3
Alexandria ALEXAlex-ID: agm003312643 · 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
A2B2C3_21_spg12
Rb(GaSn)2 RbSn
2022-02-02 15:19:15.296514
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003312643).
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 agm003312643
data_agm003312643
_cell_length_a 4.63527
_cell_length_b 6.80674
_cell_length_c 8.29574
_cell_angle_alpha 116.52635
_cell_angle_beta 90.00000
_cell_angle_gamma 109.90682
_cell_volume 216.56577
_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 0.84353 0.68706 0.19224 1.00000
Rb2 Rb 0.15647 0.31294 0.80776 1.00000
Ga1 Ga 0.84840 0.69681 0.72112 1.00000
Ga2 Ga 0.15160 0.30319 0.27888 1.00000
Sn1 Sn 0.50000 0.00000 0.00000 1.00000
Sn2 Sn 0.60103 0.20206 0.44019 1.00000
Sn3 Sn 0.39897 0.79794 0.55981 1.00000
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