Ce(ZrCu3)2
Alexandria ALEXAlex-ID: agm005793044 · 空间群: P6/mmm (#191)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_650_spg65
CeCu2 Zr3Cu8 Zr7Cu10
2023-07-12 08:41:31.434646
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005793044).
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 agm005793044
data_agm005793044
_cell_length_a 2.95163
_cell_length_b 7.56446
_cell_length_c 8.12013
_cell_angle_alpha 117.76100
_cell_angle_beta 111.33322
_cell_angle_gamma 90.00000
_cell_volume 146.24928
_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
Ce1 Ce 1.00000 0.00000 0.00000 1.00000
Zr1 Zr 0.66689 0.33342 0.66685 1.00000
Zr2 Zr 0.33311 0.66658 0.33315 1.00000
Cu1 Cu 0.83760 0.00013 0.33793 1.00000
Cu2 Cu 0.16240 0.99987 0.66206 1.00000
Cu3 Cu 0.16240 0.66220 0.66206 1.00000
Cu4 Cu 0.50000 0.33777 0.00000 1.00000
Cu5 Cu 0.50000 0.66223 1.00000 1.00000
Cu6 Cu 0.83760 0.33780 0.33793 1.00000
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