Ho16AlCd3Ni4
Alexandria ALEXAlex-ID: agm020770892 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C4D16_19_spg160
Ho4CdNi Ho4AlNi
2024-08-25 04:13:53.081180
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020770892).
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 agm020770892
data_agm020770892
_cell_length_a 9.48121
_cell_length_b 9.48121
_cell_length_c 9.48121
_cell_angle_alpha 60.03134
_cell_angle_beta 60.03134
_cell_angle_gamma 60.03134
_cell_volume 603.09325
_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 0.06638 0.43537 0.43537 1.00000
Ho2 Ho 0.43537 0.06638 0.43537 1.00000
Ho3 Ho 0.43537 0.43537 0.06638 1.00000
Ho4 Ho 0.43613 0.06350 0.06350 1.00000
Ho5 Ho 0.06350 0.43613 0.06350 1.00000
Ho6 Ho 0.06350 0.06350 0.43613 1.00000
Ho7 Ho 0.18863 0.81173 0.81173 1.00000
Ho8 Ho 0.81173 0.18863 0.81173 1.00000
Ho9 Ho 0.81173 0.81173 0.18863 1.00000
Ho10 Ho 0.80828 0.19052 0.19052 1.00000
Ho11 Ho 0.19052 0.80828 0.19052 1.00000
Ho12 Ho 0.19052 0.19052 0.80828 1.00000
Ho13 Ho 0.65165 0.65165 0.65165 1.00000
Ho14 Ho 0.64963 0.64963 0.04839 1.00000
Ho15 Ho 0.64963 0.04839 0.64963 1.00000
Ho16 Ho 0.04839 0.64963 0.64963 1.00000
Al1 Al 0.41932 0.41932 0.41932 1.00000
Cd1 Cd 0.41878 0.41878 0.74130 1.00000
Cd2 Cd 0.41878 0.74130 0.41878 1.00000
Cd3 Cd 0.74130 0.41878 0.41878 1.00000
Ni1 Ni 0.85718 0.85718 0.85718 1.00000
Ni2 Ni 0.85804 0.85804 0.42760 1.00000
Ni3 Ni 0.85804 0.42760 0.85804 1.00000
Ni4 Ni 0.42760 0.85804 0.85804 1.00000
