Sm4Y3Er4
Alexandria ALEXAlex-ID: agm005694178 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_55_spg71
Sm2Y Sm3(YEr2)2 Sm3(Y2Er)2
2023-07-02 02:34:16.415851
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694178).
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 agm005694178
data_agm005694178
_cell_length_a 3.56899
_cell_length_b 5.04263
_cell_length_c 19.87791
_cell_angle_alpha 97.27839
_cell_angle_beta 95.15660
_cell_angle_gamma 90.00505
_cell_volume 353.40231
_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 0.54623 0.54562 0.09200 1.00000
Sm2 Sm 0.45383 0.45444 0.90808 1.00000
Sm3 Sm 0.81773 0.81777 0.63497 1.00000
Sm4 Sm 0.18217 0.18222 0.36497 1.00000
Y1 Y 0.63637 0.63599 0.27281 1.00000
Y2 Y 0.36358 0.36401 0.72716 1.00000
Y3 Y 0.00004 0.00004 0.00005 1.00000
Er1 Er 0.09141 0.09079 0.18278 1.00000
Er2 Er 0.27238 0.27241 0.54451 1.00000
Er3 Er 0.72751 0.72759 0.45544 1.00000
Er4 Er 0.90860 0.90925 0.81724 1.00000
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