Ho4ZnCu2Ag
Alexandria ALEXAlex-ID: agm004797352 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_78_spg166
Ho3ZnAg2 Ho3Zn2Ag HoCu
2022-07-13 14:36:10.184183
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004797352).
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 agm004797352
data_agm004797352
_cell_length_a 4.97758
_cell_length_b 4.97758
_cell_length_c 8.65044
_cell_angle_alpha 73.27929
_cell_angle_beta 73.27929
_cell_angle_gamma 60.00000
_cell_volume 175.06991
_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 0.37623 0.37623 0.87131 1.00000
Ho2 Ho 0.87401 0.87401 0.37796 1.00000
Ho3 Ho 0.12599 0.12599 0.62204 1.00000
Ho4 Ho 0.62377 0.62377 0.12869 1.00000
Zn1 Zn 0.50000 0.50000 0.50000 1.00000
Cu1 Cu 0.75184 0.75184 0.74447 1.00000
Cu2 Cu 0.24816 0.24816 0.25553 1.00000
Ag1 Ag 0.00000 0.00000 0.00000 1.00000
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