Dy4Ho4Er3
Alexandria ALEXAlex-ID: agm003380239 · 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
A3B4C4_25_spg71
Dy3(Ho2Er)2 HoEr5 Dy5Ho
2022-02-09 02:27:26.781483
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003380239).
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 agm003380239
data_agm003380239
_cell_length_a 3.48443
_cell_length_b 5.53699
_cell_length_c 17.88242
_cell_angle_alpha 81.05933
_cell_angle_beta 84.39635
_cell_angle_gamma 89.99801
_cell_volume 339.14943
_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 0.54607 0.54634 0.90841 1.00000
Dy2 Dy 0.45393 0.45369 0.09162 1.00000
Dy3 Dy 0.31940 0.81977 0.36031 1.00000
Dy4 Dy 0.68064 0.18024 0.63969 1.00000
Ho1 Ho 0.59028 0.09090 0.81939 1.00000
Ho2 Ho 0.26705 0.26681 0.46631 1.00000
Ho3 Ho 0.73297 0.73320 0.53369 1.00000
Ho4 Ho 0.40976 0.90915 0.18060 1.00000
Er1 Er 0.13680 0.63672 0.72683 1.00000
Er2 Er 0.86324 0.36332 0.27315 1.00000
Er3 Er 0.00000 0.00002 0.00001 1.00000
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