Dy2SiRu2
Alexandria ALEXAlex-ID: agm015045962 · 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
AB2C2_566_spg12
DySiRu Dy4Ru3 Dy(SiRu)2
2025-04-15 02:56:17
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015045962).
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 agm015045962
data_agm015045962
_cell_length_a 5.62836
_cell_length_b 5.62836
_cell_length_c 5.62836
_cell_angle_alpha 141.06628
_cell_angle_beta 116.06830
_cell_angle_gamma 77.44858
_cell_volume 98.16864
_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 0.80020 0.80020 0.00000 1.00000
Dy2 Dy 0.19980 0.19980 0.00000 1.00000
Si1 Si 0.50000 0.00000 0.50000 1.00000
Ru1 Ru 0.24871 0.50000 0.74871 1.00000
Ru2 Ru 0.75129 0.50000 0.25129 1.00000
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