Dy6Ho5Mg2
Alexandria ALEXAlex-ID: agm005658725 · 空间群: Pbam (#55)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C6_76_spg55
DyHoMg Dy5Ho Dy2Ho7
2023-06-20 03:00:44.964272
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005658725).
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 agm005658725
data_agm005658725
_cell_length_a 3.52357
_cell_length_b 10.28881
_cell_length_c 22.38596
_cell_angle_alpha 90.00001
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 811.56709
_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 0.00000 0.14305 0.38173 1.00000
Dy2 Dy 0.00000 0.85695 0.61827 1.00000
Dy3 Dy 0.00000 0.64305 0.11827 1.00000
Dy4 Dy 0.00000 0.35695 0.88173 1.00000
Dy5 Dy 0.50000 0.33085 0.13379 1.00000
Dy6 Dy 0.50000 0.66915 0.86621 1.00000
Dy7 Dy 0.50000 0.83085 0.36621 1.00000
Dy8 Dy 0.50000 0.16915 0.63379 1.00000
Dy9 Dy 0.00000 0.51967 0.38723 1.00000
Dy10 Dy 0.00000 0.48033 0.61277 1.00000
Dy11 Dy 0.00000 0.01967 0.11277 1.00000
Dy12 Dy 0.00000 0.98033 0.88723 1.00000
Ho1 Ho 0.50000 0.33403 0.49383 1.00000
Ho2 Ho 0.50000 0.66597 0.50617 1.00000
Ho3 Ho 0.50000 0.83403 0.00617 1.00000
Ho4 Ho 0.50000 0.16597 0.99383 1.00000
Ho5 Ho 0.50000 0.57787 0.25125 1.00000
Ho6 Ho 0.50000 0.42213 0.74875 1.00000
Ho7 Ho 0.50000 0.07787 0.24875 1.00000
Ho8 Ho 0.50000 0.92213 0.75125 1.00000
Ho9 Ho 0.50000 0.50000 0.00000 1.00000
Ho10 Ho 0.50000 0.00000 0.50000 1.00000
Mg1 Mg 0.00000 0.32823 0.26045 1.00000
Mg2 Mg 0.00000 0.67177 0.73955 1.00000
Mg3 Mg 0.00000 0.82823 0.23955 1.00000
Mg4 Mg 0.00000 0.17177 0.76045 1.00000
