Ac5PrSn6
Alexandria ALEXAlex-ID: agm003676427 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_55_spg71
PrSn AcSn
2022-04-10 04:14:03.596835
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003676427).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm003676427
data_agm003676427
_cell_length_a 6.12420
_cell_length_b 9.48419
_cell_length_c 10.17946
_cell_angle_alpha 62.23479
_cell_angle_beta 72.56314
_cell_angle_gamma 49.96591
_cell_volume 400.57865
_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
Ac1 Ac 0.50000 0.18097 0.63805 1.00000
Ac2 Ac 0.00000 0.34653 0.30694 1.00000
Ac3 Ac 0.50000 0.50000 0.00000 1.00000
Ac4 Ac 1.00000 0.65347 0.69306 1.00000
Ac5 Ac 0.50000 0.81903 0.36195 1.00000
Pr1 Pr 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.77866 0.05766 0.32749 1.00000
Sn2 Sn 0.22134 0.61486 0.32749 1.00000
Sn3 Sn 0.29232 0.20788 1.00000 1.00000
Sn4 Sn 0.70768 0.79212 0.00000 1.00000
Sn5 Sn 0.77866 0.38514 0.67251 1.00000
Sn6 Sn 0.22134 0.94234 0.67251 1.00000
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