Nd2Sn4Pd
Alexandria ALEXAlex-ID: agm003440887 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_166_spg139
NdSnPd Nd3Sn7 Nd2Sn5Pd3
2022-02-18 18:57:34.557974
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003440887).
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 agm003440887
data_agm003440887
_cell_length_a 5.07830
_cell_length_b 5.07830
_cell_length_c 8.81899
_cell_angle_alpha 106.73338
_cell_angle_beta 106.73338
_cell_angle_gamma 90.00000
_cell_volume 207.72694
_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
Nd1 Nd 0.36092 0.36092 0.72184 1.00000
Nd2 Nd 0.63908 0.63908 0.27816 1.00000
Sn1 Sn 0.16829 0.16829 0.33658 1.00000
Sn2 Sn 0.83171 0.83171 0.66342 1.00000
Sn3 Sn 0.00000 0.50000 0.00000 1.00000
Sn4 Sn 0.50000 0.00000 0.00000 1.00000
Pd1 Pd 0.00000 0.00000 0.00000 1.00000
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