Nd2SmDy6
Alexandria ALEXAlex-ID: agm027016899 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_75_spg2
SmDy5 Nd3Dy5 NdSm3Dy4
2024-12-19 08:50:29
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm027016899).
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 agm027016899
data_agm027016899
_cell_length_a 9.55501
_cell_length_b 9.55501
_cell_length_c 9.59305
_cell_angle_alpha 64.81075
_cell_angle_beta 115.18925
_cell_angle_gamma 158.23155
_cell_volume 292.71544
_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 0.33378 0.66622 0.50049 1.00000
Nd2 Nd 0.66622 0.33378 0.49951 1.00000
Sm1 Sm 0.00000 0.00000 0.50000 1.00000
Dy1 Dy 0.85240 0.14760 0.83659 1.00000
Dy2 Dy 0.14760 0.85240 0.16341 1.00000
Dy3 Dy 0.81449 0.18551 0.16393 1.00000
Dy4 Dy 0.18551 0.81449 0.83607 1.00000
Dy5 Dy 0.51890 0.48110 0.83567 1.00000
Dy6 Dy 0.48110 0.51890 0.16433 1.00000
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