Ce(MgSn3)2
Alexandria ALEXAlex-ID: agm097782142 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_695_spg12
CeSn3 Mg2Sn Sn
2025-04-07 04:14:41
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097782142).
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 agm097782142
data_agm097782142
_cell_length_a 6.57468
_cell_length_b 4.98479
_cell_length_c 8.16110
_cell_angle_alpha 107.74191
_cell_angle_beta 80.44096
_cell_angle_gamma 112.32279
_cell_volume 235.27045
_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 0.31312 0.73767 0.96720 1.00000
Mg1 Mg 0.89547 0.04910 0.00778 1.00000
Mg2 Mg 0.95481 0.73575 0.32226 1.00000
Sn1 Sn 0.68071 0.41326 0.95145 1.00000
Sn2 Sn 0.61250 0.70802 0.61092 1.00000
Sn3 Sn 0.26097 0.07106 0.68614 1.00000
Sn4 Sn 0.54919 0.04548 0.34687 1.00000
Sn5 Sn 0.98212 0.39120 0.60569 1.00000
Sn6 Sn 0.25110 0.34846 0.25170 1.00000
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