Ce3(NiSn2)2
Alexandria ALEXAlex-ID: agm005604445 · 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
A2B3C4_600_spg12
CeNiSn CeSn2
2023-07-03 13:58:14.022133
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604445).
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 agm005604445
data_agm005604445
_cell_length_a 6.19578
_cell_length_b 6.19578
_cell_length_c 8.62195
_cell_angle_alpha 78.10328
_cell_angle_beta 78.10328
_cell_angle_gamma 43.57734
_cell_volume 222.45969
_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
Ce1 Ce 0.35301 0.35301 0.66256 1.00000
Ce2 Ce 0.00000 0.00000 0.00000 1.00000
Ce3 Ce 0.64699 0.64699 0.33744 1.00000
Ni1 Ni 0.42600 0.42600 0.26889 1.00000
Ni2 Ni 0.57400 0.57400 0.73111 1.00000
Sn1 Sn 0.28066 0.28066 0.08615 1.00000
Sn2 Sn 0.71934 0.71934 0.91385 1.00000
Sn3 Sn 0.08131 0.08131 0.60951 1.00000
Sn4 Sn 0.91869 0.91869 0.39049 1.00000
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