CeSm2DyY5
Alexandria ALEXAlex-ID: agm005176174 · 空间群: I4/mcm (#140)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_205_spg140
Sm2DyY6 SmY2 SmDy5 Ce
2023-01-19 16:30:43.120463
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005176174).
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 agm005176174
data_agm005176174
_cell_length_a 8.61912
_cell_length_b 8.61912
_cell_length_c 9.91754
_cell_angle_alpha 115.75599
_cell_angle_beta 115.75599
_cell_angle_gamma 90.00000
_cell_volume 581.22972
_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 0.25000 0.75000 0.50000 1.00000
Ce2 Ce 0.75000 0.25000 0.50000 1.00000
Sm1 Sm 0.12030 0.37970 0.00000 1.00000
Sm2 Sm 0.62030 0.12030 0.00000 1.00000
Sm3 Sm 0.37970 0.87970 1.00000 1.00000
Sm4 Sm 0.87970 0.62030 0.00000 1.00000
Dy1 Dy 0.25000 0.25000 0.50000 1.00000
Dy2 Dy 0.75000 0.75000 0.50000 1.00000
Y1 Y 0.93829 0.43829 0.27935 1.00000
Y2 Y 0.65894 0.15894 0.72065 1.00000
Y3 Y 0.06171 0.56171 0.72065 1.00000
Y4 Y 0.15894 0.06171 0.72065 1.00000
Y5 Y 0.56171 0.65894 0.72065 1.00000
Y6 Y 0.84106 0.93829 0.27935 1.00000
Y7 Y 0.43829 0.34106 0.27935 1.00000
Y8 Y 0.34106 0.84106 0.27935 1.00000
Y9 Y 0.50000 0.50000 0.00000 1.00000
Y10 Y 0.00000 0.00000 0.00000 1.00000
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