DyY3Rh
Alexandria ALEXAlex-ID: agm005867544 · 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
ABC3_2711_spg2
Dy2YRh DyY15 Y3Rh
2023-07-06 04:52:38.842509
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005867544).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005867544
data_agm005867544
_cell_length_a 3.78061
_cell_length_b 6.30925
_cell_length_c 12.54583
_cell_angle_alpha 86.91256
_cell_angle_beta 81.33413
_cell_angle_gamma 72.56592
_cell_volume 282.23507
_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 0.11517 0.49223 0.27743 1.00000
Dy2 Dy 0.22343 0.55387 0.99927 1.00000
Y1 Y 0.44606 0.95540 0.15248 1.00000
Y2 Y 0.76764 0.70925 0.75547 1.00000
Y3 Y 0.09751 0.17456 0.63041 1.00000
Y4 Y 0.99030 0.10965 0.90974 1.00000
Y5 Y 0.78111 0.04637 0.39141 1.00000
Y6 Y 0.43083 0.62372 0.51462 1.00000
Rh1 Rh 0.78028 0.31415 0.12529 1.00000
Rh2 Rh 0.42843 0.35768 0.78546 1.00000
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