DyU7Ru3
Alexandria ALEXAlex-ID: agm012997902 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C7_625_spg1
U4Ru Dy2URu3 U
2024-07-13 11:28:48.855573
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm012997902).
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 agm012997902
data_agm012997902
_cell_length_a 5.67187
_cell_length_b 5.95572
_cell_length_c 8.07841
_cell_angle_alpha 98.62705
_cell_angle_beta 100.90501
_cell_angle_gamma 119.39169
_cell_volume 223.86766
_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 0.83131 0.82933 0.28798 1.00000
U1 U 0.14929 0.22711 0.01772 1.00000
U2 U 0.43331 0.44182 0.50613 1.00000
U3 U 0.61513 0.60607 0.84567 1.00000
U4 U 0.66259 0.21691 0.96120 1.00000
U5 U 0.22714 0.77938 0.99835 1.00000
U6 U 0.00877 0.46863 0.67025 1.00000
U7 U 0.55669 0.99421 0.63367 1.00000
Ru1 Ru 0.08315 0.99422 0.68039 1.00000
Ru2 Ru 0.14929 0.54559 0.30038 1.00000
Ru3 Ru 0.55767 0.17105 0.31571 1.00000
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