HoHfCd
Alexandria ALEXAlex-ID: agm005695213 · 空间群: P4/nmm (#129)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_260_spg129
Hf HoCd
2023-06-19 08:13:18.055319
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695213).
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 agm005695213
data_agm005695213
_cell_length_a 3.30128
_cell_length_b 3.29863
_cell_length_c 13.45977
_cell_angle_alpha 90.00687
_cell_angle_beta 89.94573
_cell_angle_gamma 90.02505
_cell_volume 146.57263
_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 0.87275 0.29097 0.50258 1.00000
Ho2 Ho 0.37202 0.79139 0.00971 1.00000
Hf1 Hf 0.87227 0.29137 0.83308 1.00000
Hf2 Hf 0.37237 0.79106 0.67924 1.00000
Cd1 Cd 0.87220 0.29112 0.18178 1.00000
Cd2 Cd 0.37296 0.79078 0.33051 1.00000
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