Pm5NdSn6
Alexandria ALEXAlex-ID: agm003676417 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_47_spg65
Pm3NdSn4 PmSn
2022-04-28 04:57:49.118390
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003676417).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm003676417
data_agm003676417
_cell_length_a 10.32309
_cell_length_b 4.96018
_cell_length_c 7.93515
_cell_angle_alpha 71.78734
_cell_angle_beta 81.37261
_cell_angle_gamma 61.31742
_cell_volume 338.59889
_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 0.50000 0.16669 0.66662 1.00000
Pm2 Pm 0.00000 0.33307 0.33387 1.00000
Pm3 Pm 0.50000 0.50000 0.00000 1.00000
Pm4 Pm 1.00000 0.66693 0.66613 1.00000
Pm5 Pm 0.50000 0.83331 0.33338 1.00000
Nd1 Nd 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.74949 0.08333 0.33415 1.00000
Sn2 Sn 0.25051 0.58251 0.33415 1.00000
Sn3 Sn 0.25067 0.24924 1.00000 1.00000
Sn4 Sn 0.74933 0.75076 0.00000 1.00000
Sn5 Sn 0.74949 0.41749 0.66585 1.00000
Sn6 Sn 0.25051 0.91667 0.66585 1.00000
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