Dy5PaRu6
Alexandria ALEXAlex-ID: agm065584745 · 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
AB5C6_53_spg71
Dy5PaRu6
2024-09-25 03:12:05.136395
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm065584745).
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 agm065584745
data_agm065584745
_cell_length_a 8.28344
_cell_length_b 8.28344
_cell_length_c 8.28344
_cell_angle_alpha 145.96171
_cell_angle_beta 131.19267
_cell_angle_gamma 60.83956
_cell_volume 237.08294
_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 0.67451 0.67451 0.00000 1.00000
Dy2 Dy 0.83622 0.33622 0.50000 1.00000
Dy3 Dy 0.00000 0.00000 0.00000 1.00000
Dy4 Dy 0.16378 0.66378 0.50000 1.00000
Dy5 Dy 0.32549 0.32549 0.00000 1.00000
Pa1 Pa 0.50000 0.00000 0.50000 1.00000
Ru1 Ru 0.10716 0.84269 0.26447 1.00000
Ru2 Ru 0.57822 0.84269 0.73553 1.00000
Ru3 Ru 0.26937 0.50000 0.76937 1.00000
Ru4 Ru 0.73063 0.50000 0.23063 1.00000
Ru5 Ru 0.42178 0.15731 0.26447 1.00000
Ru6 Ru 0.89284 0.15731 0.73553 1.00000
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