Ho3Al3Cu
Alexandria ALEXAlex-ID: agm005938457 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C3_34_spg12
HoAl HoAlCu
2023-08-04 15:42:42.302502
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005938457).
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 agm005938457
data_agm005938457
_cell_length_a 4.40575
_cell_length_b 5.78349
_cell_length_c 13.58519
_cell_angle_alpha 85.01412
_cell_angle_beta 80.66813
_cell_angle_gamma 67.61119
_cell_volume 315.70993
_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 0.53228 0.31830 0.61715 1.00000
Ho2 Ho 0.46772 0.68170 0.38285 1.00000
Ho3 Ho 0.25297 0.26533 0.22874 1.00000
Ho4 Ho 0.74703 0.73467 0.77126 1.00000
Ho5 Ho 0.39984 0.27998 0.92034 1.00000
Ho6 Ho 0.60016 0.72002 0.07966 1.00000
Al1 Al 0.85994 0.73958 0.54054 1.00000
Al2 Al 0.14006 0.26042 0.45946 1.00000
Al3 Al 0.11111 0.85407 0.92371 1.00000
Al4 Al 0.88889 0.14593 0.07629 1.00000
Al5 Al 0.95613 0.84930 0.23844 1.00000
Al6 Al 0.04387 0.15070 0.76156 1.00000
Cu1 Cu 0.75016 0.10237 0.39731 1.00000
Cu2 Cu 0.24984 0.89763 0.60269 1.00000
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