NdDy2HoMg
Alexandria ALEXAlex-ID: agm005014580 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD2_1555_spg11
Dy5Ho Dy2Ho7 NdMg
2022-07-04 14:09:05.200739
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005014580).
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 agm005014580
data_agm005014580
_cell_length_a 5.60184
_cell_length_b 6.15841
_cell_length_c 9.42215
_cell_angle_alpha 70.79777
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 306.96500
_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
Nd1 Nd 0.75000 0.35175 0.61177 1.00000
Nd2 Nd 0.25000 0.64825 0.38823 1.00000
Dy1 Dy 0.75000 0.75208 0.79896 1.00000
Dy2 Dy 0.25000 0.24792 0.20104 1.00000
Dy3 Dy 0.25000 0.01837 0.60537 1.00000
Dy4 Dy 0.75000 0.98163 0.39463 1.00000
Ho1 Ho 0.25000 0.83642 0.00116 1.00000
Ho2 Ho 0.75000 0.16358 0.99884 1.00000
Mg1 Mg 0.75000 0.57542 0.19214 1.00000
Mg2 Mg 0.25000 0.42458 0.80786 1.00000
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