Nd3Sm4Dy5
Alexandria ALEXAlex-ID: agm005697145 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C5_119_spg2
Nd3Sm5 NdSm3Dy4 Nd
2023-06-29 12:35:59.058448
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697145).
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 agm005697145
data_agm005697145
_cell_length_a 7.20848
_cell_length_b 11.40150
_cell_length_c 12.99571
_cell_angle_alpha 151.29907
_cell_angle_beta 56.37080
_cell_angle_gamma 129.24651
_cell_volume 397.23090
_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 0.58228 0.16520 0.33253 1.00000
Nd2 Nd 0.00000 0.00000 0.50000 1.00000
Nd3 Nd 0.41772 0.83480 0.66747 1.00000
Sm1 Sm 0.91754 0.83560 0.66813 1.00000
Sm2 Sm 0.83132 0.66374 0.83247 1.00000
Sm3 Sm 0.16868 0.33626 0.16753 1.00000
Sm4 Sm 0.08246 0.16440 0.33187 1.00000
Dy1 Dy 0.33124 0.66636 0.83473 1.00000
Dy2 Dy 0.50000 0.00000 0.50000 1.00000
Dy3 Dy 0.75032 0.50089 0.00065 1.00000
Dy4 Dy 0.24968 0.49911 0.99935 1.00000
Dy5 Dy 0.66876 0.33364 0.16527 1.00000
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