HoThNi
Alexandria ALEXAlex-ID: agm005651983 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_10834_spg43
HoThNi2 Th7Ni3 Ho3Ni
2023-06-18 00:27:55.591148
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005651983).
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 agm005651983
data_agm005651983
_cell_length_a 5.38425
_cell_length_b 6.35163
_cell_length_c 10.81393
_cell_angle_alpha 83.94305
_cell_angle_beta 75.58462
_cell_angle_gamma 64.92222
_cell_volume 324.41495
_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 0.10995 0.78736 0.56752 1.00000
Ho2 Ho 0.64731 0.71264 0.06752 1.00000
Ho3 Ho 0.46482 0.21264 0.43248 1.00000
Ho4 Ho 0.42746 0.28736 0.93248 1.00000
Th1 Th 0.23858 0.86632 0.84829 1.00000
Th2 Th 0.85489 0.63368 0.34829 1.00000
Th3 Th 0.95318 0.13368 0.15171 1.00000
Th4 Th 0.83687 0.36632 0.65171 1.00000
Ni1 Ni 0.56015 0.84296 0.60176 1.00000
Ni2 Ni 0.15312 0.65704 0.10176 1.00000
Ni3 Ni 0.00488 0.15704 0.39824 1.00000
Ni4 Ni 0.91191 0.34296 0.89824 1.00000
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