Ce2Sm2MnSn2
Alexandria ALEXAlex-ID: agm024691573 · 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
AB2C2D2_132_spg139
Sm5Sn4 Sm5Sn3 Ce3MnSn Mn
2025-05-20 09:12:03
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024691573).
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 agm024691573
data_agm024691573
_cell_length_a 4.76438
_cell_length_b 4.76438
_cell_length_c 9.24971
_cell_angle_alpha 75.12804
_cell_angle_beta 104.87196
_cell_angle_gamma 90.01629
_cell_volume 195.64660
_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 0.00000 0.50000 0.50000 1.00000
Ce2 Ce 0.50000 0.00000 0.50000 1.00000
Sm1 Sm 0.17503 0.82497 0.85105 1.00000
Sm2 Sm 0.82497 0.17503 0.14895 1.00000
Mn1 Mn 0.00000 0.00000 0.50000 1.00000
Sn1 Sn 0.36086 0.63914 0.22027 1.00000
Sn2 Sn 0.63914 0.36086 0.77973 1.00000
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