Pm4Sn2Ru
Alexandria ALEXAlex-ID: agm003462986 · 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
AB2C4_919_spg12
Pm4Sn3 Pm5Sn2Ru Pm2SnRu2
2022-02-19 10:34:37.963198
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003462986).
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 agm003462986
data_agm003462986
_cell_length_a 4.79889
_cell_length_b 8.95547
_cell_length_c 7.69274
_cell_angle_alpha 137.12126
_cell_angle_beta 108.17438
_cell_angle_gamma 90.00000
_cell_volume 199.93366
_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
Pm1 Pm 0.93155 0.22111 0.86311 1.00000
Pm2 Pm 0.06845 0.77889 0.13689 1.00000
Pm3 Pm 0.66704 0.28466 0.33409 1.00000
Pm4 Pm 0.33296 0.71534 0.66591 1.00000
Sn1 Sn 0.66398 0.65342 0.32796 1.00000
Sn2 Sn 0.33602 0.34658 0.67204 1.00000
Ru1 Ru 0.00000 0.00000 0.00000 1.00000
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