Sm7Sn5Pb
Alexandria ALEXAlex-ID: agm003679461 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C7_33_spg44
Sm5Sn4 Sm5(SnPb)2 SmSn
2022-04-10 08:16:49.985639
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003679461).
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 agm003679461
data_agm003679461
_cell_length_a 6.31409
_cell_length_b 8.49556
_cell_length_c 8.49556
_cell_angle_alpha 85.59861
_cell_angle_beta 68.18499
_cell_angle_gamma 68.18499
_cell_volume 391.78743
_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
Sm1 Sm 0.62448 0.37552 0.37552 1.00000
Sm2 Sm 0.23597 0.76403 0.76403 1.00000
Sm3 Sm 0.01249 0.31968 0.65534 1.00000
Sm4 Sm 0.01249 0.65534 0.31968 1.00000
Sm5 Sm 0.28022 0.21978 0.21978 1.00000
Sm6 Sm 0.52844 0.80852 0.13459 1.00000
Sm7 Sm 0.52844 0.13459 0.80852 1.00000
Sn1 Sn 0.51631 0.99010 0.47601 1.00000
Sn2 Sn 0.01757 0.99010 0.47601 1.00000
Sn3 Sn 0.51631 0.47601 0.99010 1.00000
Sn4 Sn 0.01757 0.47601 0.99010 1.00000
Sn5 Sn 0.77424 0.72576 0.72576 1.00000
Pb1 Pb 0.93547 0.06453 0.06453 1.00000
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