Rb5MgSn6
Alexandria ALEXAlex-ID: agm006136104 · 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
AB5C6_176_spg12
Rb3Mg18Sn11 RbSn2 RbSn
2023-09-01 07:40:04.391365
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136104).
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 agm006136104
data_agm006136104
_cell_length_a 9.92950
_cell_length_b 7.80722
_cell_length_c 8.22093
_cell_angle_alpha 61.65120
_cell_angle_beta 84.25402
_cell_angle_gamma 77.82800
_cell_volume 548.26269
_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
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.65781 0.91782 0.00000 1.00000
Sn2 Sn 0.77292 0.06948 0.21280 1.00000
Sn3 Sn 0.22708 0.71772 0.21280 1.00000
Sn4 Sn 0.22708 0.93052 0.78720 1.00000
Sn5 Sn 0.77292 0.28228 0.78720 1.00000
Sn6 Sn 0.34219 0.08218 1.00000 1.00000
Rb1 Rb 0.50000 0.23265 0.53470 1.00000
Rb2 Rb 1.00000 0.66651 0.66697 1.00000
Rb3 Rb 0.00000 0.33349 0.33303 1.00000
Rb4 Rb 0.50000 0.50000 0.00000 1.00000
Rb5 Rb 0.50000 0.76735 0.46530 1.00000
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