SmDyZn4
Alexandria ALEXAlex-ID: agm003751655 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_1114_spg123
SmZn2 DyZn2
2022-04-19 10:49:59.091505
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003751655).
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 agm003751655
data_agm003751655
_cell_length_a 3.78120
_cell_length_b 3.78057
_cell_length_c 9.84002
_cell_angle_alpha 89.62801
_cell_angle_beta 89.89028
_cell_angle_gamma 90.02208
_cell_volume 140.66052
_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
Sm1 Sm 0.50133 0.49726 0.99814 1.00000
Dy1 Dy 0.00140 0.99711 0.49818 1.00000
Zn1 Zn 0.50172 0.99636 0.25220 1.00000
Zn2 Zn 0.50084 0.99835 0.74408 1.00000
Zn3 Zn 0.00148 0.49624 0.74407 1.00000
Zn4 Zn 0.00102 0.49840 0.25216 1.00000
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