Sm6YEr
Alexandria ALEXAlex-ID: agm005759036 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_253_spg12
Sm2Y Sm SmEr2
2023-07-25 09:18:35.605402
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005759036).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005759036
data_agm005759036
_cell_length_a 6.83654
_cell_length_b 6.57808
_cell_length_c 7.03000
_cell_angle_alpha 78.05706
_cell_angle_beta 60.52837
_cell_angle_gamma 89.59741
_cell_volume 267.60833
_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 0.09598 0.76765 0.47777 1.00000
Sm2 Sm 0.56943 0.72914 0.52834 1.00000
Sm3 Sm 0.43057 0.27086 0.47166 1.00000
Sm4 Sm 0.90402 0.23235 0.52223 1.00000
Sm5 Sm 0.55133 0.74898 0.00079 1.00000
Sm6 Sm 0.44867 0.25102 0.99921 1.00000
Y1 Y 0.00000 0.00000 0.00000 1.00000
Er1 Er 0.00000 0.50000 0.00000 1.00000
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