Pr3Ni2Sn3
Alexandria ALEXAlex-ID: agm003330652 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C3_126_spg63
PrNiSn PrSn
2022-01-22 22:44:58.832322
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003330652).
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 agm003330652
data_agm003330652
_cell_length_a 4.54974
_cell_length_b 6.04581
_cell_length_c 15.40961
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 112.10294
_cell_volume 392.71967
_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
Pr1 Pr 0.91974 0.83949 0.39018 1.00000
Pr2 Pr 0.08026 0.16051 0.89018 1.00000
Pr3 Pr 0.91974 0.83949 0.10982 1.00000
Pr4 Pr 0.08026 0.16051 0.60982 1.00000
Pr5 Pr 0.63555 0.27110 0.25000 1.00000
Pr6 Pr 0.36445 0.72890 0.75000 1.00000
Ni1 Ni 0.79452 0.58903 0.89663 1.00000
Ni2 Ni 0.20548 0.41097 0.39663 1.00000
Ni3 Ni 0.79452 0.58903 0.60337 1.00000
Ni4 Ni 0.20548 0.41097 0.10337 1.00000
Sn1 Sn 0.63477 0.26954 0.46310 1.00000
Sn2 Sn 0.36523 0.73046 0.96310 1.00000
Sn3 Sn 0.63477 0.26954 0.03690 1.00000
Sn4 Sn 0.36523 0.73046 0.53690 1.00000
Sn5 Sn 0.33663 0.67326 0.25000 1.00000
Sn6 Sn 0.66337 0.32674 0.75000 1.00000
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