NdSi2Sn2Pt7
Alexandria ALEXAlex-ID: agm004591102 · 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
AB2C2D7_158_spg139
NdPt5 Nd3Si11Pt23 NdSiPt3 SnPt
2022-06-26 05:18:19.162860
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004591102).
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 agm004591102
data_agm004591102
_cell_length_a 3.97482
_cell_length_b 3.97482
_cell_length_c 15.53435
_cell_angle_alpha 82.76662
_cell_angle_beta 82.76662
_cell_angle_gamma 90.02924
_cell_volume 241.50539
_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 0.00000 0.00000 0.00000 1.00000
Si1 Si 0.61808 0.61808 0.76014 1.00000
Si2 Si 0.38192 0.38192 0.23986 1.00000
Sn1 Sn 0.78934 0.78934 0.42299 1.00000
Sn2 Sn 0.21066 0.21066 0.57701 1.00000
Pt1 Pt 0.50000 0.50000 0.00000 1.00000
Pt2 Pt 0.30374 0.30374 0.39277 1.00000
Pt3 Pt 0.69626 0.69626 0.60723 1.00000
Pt4 Pt 0.92524 0.42537 0.15202 1.00000
Pt5 Pt 0.42537 0.92524 0.15202 1.00000
Pt6 Pt 0.57463 0.07476 0.84798 1.00000
Pt7 Pt 0.07476 0.57463 0.84798 1.00000
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