Dy8TcRu2
Alexandria ALEXAlex-ID: agm006014775 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_1555_spg8
Dy3Ru Dy3Tc DyTc2
2023-10-01 12:39:22
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006014775).
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 agm006014775
data_agm006014775
_cell_length_a 5.77870
_cell_length_b 7.56031
_cell_length_c 7.56031
_cell_angle_alpha 113.29055
_cell_angle_beta 100.40989
_cell_angle_gamma 100.40989
_cell_volume 286.53454
_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
Dy1 Dy 0.58126 0.33197 0.07812 1.00000
Dy2 Dy 0.58126 0.07812 0.33197 1.00000
Dy3 Dy 0.18208 0.36308 0.36308 1.00000
Dy4 Dy 0.99045 0.21062 0.78108 1.00000
Dy5 Dy 0.99045 0.78108 0.21062 1.00000
Dy6 Dy 0.80486 0.64461 0.64461 1.00000
Dy7 Dy 0.39113 0.92715 0.67101 1.00000
Dy8 Dy 0.39113 0.67101 0.92715 1.00000
Tc1 Tc 0.07921 0.00723 0.00723 1.00000
Ru1 Ru 0.50392 0.70019 0.31889 1.00000
Ru2 Ru 0.50392 0.31889 0.70019 1.00000
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