Y3(ZnCd)4
Alexandria ALEXAlex-ID: agm003380452 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_25_spg71
YZn2Cd YCd2
2022-02-09 08:16:16.001708
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003380452).
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 agm003380452
data_agm003380452
_cell_length_a 3.56859
_cell_length_b 4.67782
_cell_length_c 14.72229
_cell_angle_alpha 80.96857
_cell_angle_beta 83.04899
_cell_angle_gamma 89.99618
_cell_volume 240.88634
_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
Y1 Y 0.14118 0.64077 0.71804 1.00000
Y2 Y 0.85885 0.35925 0.28196 1.00000
Y3 Y 0.00001 0.00001 0.00000 1.00000
Zn1 Zn 0.54464 0.54486 0.91121 1.00000
Zn2 Zn 0.45538 0.45516 0.08878 1.00000
Zn3 Zn 0.31618 0.81647 0.36799 1.00000
Zn4 Zn 0.68385 0.18356 0.63201 1.00000
Cd1 Cd 0.59203 0.09182 0.81653 1.00000
Cd2 Cd 0.26243 0.26275 0.47493 1.00000
Cd3 Cd 0.73761 0.73728 0.52507 1.00000
Cd4 Cd 0.40800 0.90821 0.18347 1.00000
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