Dy4Y4Th3
Alexandria ALEXAlex-ID: agm005703370 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_105_spg12
Y2Th Dy5Y DyTh
2023-07-02 02:17:50.264671
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005703370).
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 agm005703370
data_agm005703370
_cell_length_a 3.56398
_cell_length_b 5.71632
_cell_length_c 18.06665
_cell_angle_alpha 99.09145
_cell_angle_beta 101.38166
_cell_angle_gamma 89.99783
_cell_volume 356.11335
_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 0.69535 0.09831 0.19661 1.00000
Dy2 Dy 0.06056 0.27987 0.55983 1.00000
Dy3 Dy 0.93940 0.72016 0.44017 1.00000
Dy4 Dy 0.30464 0.90172 0.80339 1.00000
Y1 Y 0.59141 0.54619 0.09208 1.00000
Y2 Y 0.40856 0.45384 0.90793 1.00000
Y3 Y 0.62096 0.81015 0.62040 1.00000
Y4 Y 0.37901 0.18988 0.37960 1.00000
Th1 Th 0.26139 0.63146 0.26274 1.00000
Th2 Th 0.73856 0.36857 0.73726 1.00000
Th3 Th 0.00002 0.00001 1.00000 1.00000
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