Sm5Tm2Cd
Alexandria ALEXAlex-ID: agm003469740 · 空间群: I4mm (#107)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_421_spg107
SmTmCd SmTm2 Sm
2022-05-02 15:10:47.972975
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003469740).
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 agm003469740
data_agm003469740
_cell_length_a 8.16052
_cell_length_b 8.16028
_cell_length_c 6.89428
_cell_angle_alpha 126.32505
_cell_angle_beta 126.31766
_cell_angle_gamma 89.95292
_cell_volume 251.00286
_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
Sm1 Sm 0.69601 0.24063 0.93662 1.00000
Sm2 Sm 0.24044 0.24046 0.93610 1.00000
Sm3 Sm 0.69563 0.69566 0.93612 1.00000
Sm4 Sm 0.24063 0.69595 0.93655 1.00000
Sm5 Sm 0.77818 0.77814 0.55635 1.00000
Tm1 Tm 0.21281 0.71285 0.42562 1.00000
Tm2 Tm 0.71281 0.21285 0.42565 1.00000
Cd1 Cd 0.20049 0.20046 0.40100 1.00000
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