Nd6Dy2Mg
Alexandria ALEXAlex-ID: agm005656529 · 空间群: Ibam (#72)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_1975_spg15
Nd3Dy5 Nd NdMg
2023-07-08 18:23:01.932402
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656529).
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 agm005656529
data_agm005656529
_cell_length_a 6.16036
_cell_length_b 11.63050
_cell_length_c 11.63049
_cell_angle_alpha 48.29992
_cell_angle_beta 105.36597
_cell_angle_gamma 105.36599
_cell_volume 595.36173
_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 0.42826 0.65364 0.50437 1.00000
Nd2 Nd 0.07174 0.49563 0.34636 1.00000
Nd3 Nd 0.57174 0.34636 0.49563 1.00000
Nd4 Nd 0.92826 0.50437 0.65364 1.00000
Nd5 Nd 0.91933 0.91956 0.41895 1.00000
Nd6 Nd 0.58067 0.58105 0.08044 1.00000
Nd7 Nd 0.08067 0.08044 0.58105 1.00000
Nd8 Nd 0.41933 0.41895 0.91956 1.00000
Nd9 Nd 0.26862 0.84573 0.99587 1.00000
Nd10 Nd 0.23138 0.00413 0.15427 1.00000
Nd11 Nd 0.73138 0.15427 0.00413 1.00000
Nd12 Nd 0.76862 0.99587 0.84573 1.00000
Dy1 Dy 0.44731 0.82925 0.67021 1.00000
Dy2 Dy 0.05269 0.32979 0.17075 1.00000
Dy3 Dy 0.55269 0.17075 0.32979 1.00000
Dy4 Dy 0.94731 0.67021 0.82925 1.00000
Mg1 Mg 0.25000 0.24961 0.75039 1.00000
Mg2 Mg 0.75000 0.75039 0.24961 1.00000
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