Ho5ErCu6
Alexandria ALEXAlex-ID: agm050201501 · 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
AB5C6_91_spg71
HoErCu2 HoCu
2025-02-04 12:47:58
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm050201501).
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 agm050201501
data_agm050201501
_cell_length_a 8.45330
_cell_length_b 8.45330
_cell_length_c 8.45330
_cell_angle_alpha 146.49186
_cell_angle_beta 131.84081
_cell_angle_gamma 59.94237
_cell_volume 246.17966
_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
Ho1 Ho 0.66668 0.66668 0.00000 1.00000
Ho2 Ho 0.33332 0.33332 0.00000 1.00000
Ho3 Ho 0.00000 0.00000 0.00000 1.00000
Ho4 Ho 0.83343 0.33343 0.50000 1.00000
Ho5 Ho 0.16657 0.66657 0.50000 1.00000
Er1 Er 0.50000 0.00000 0.50000 1.00000
Cu1 Cu 0.91565 0.16631 0.74934 1.00000
Cu2 Cu 0.74867 0.50000 0.24867 1.00000
Cu3 Cu 0.08435 0.83369 0.25066 1.00000
Cu4 Cu 0.58303 0.83369 0.74934 1.00000
Cu5 Cu 0.25133 0.50000 0.75133 1.00000
Cu6 Cu 0.41697 0.16631 0.25066 1.00000
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