HoAl(CoH4)2
Alexandria ALEXAlex-ID: agm007302803 · 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
ABC2D8_323_spg148
AlCoH6 HoCoH6 AlCo
2024-02-08 05:56:24
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007302803).
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 agm007302803
data_agm007302803
_cell_length_a 3.55372
_cell_length_b 4.37143
_cell_length_c 6.38522
_cell_angle_alpha 106.89030
_cell_angle_beta 90.03618
_cell_angle_gamma 114.01724
_cell_volume 85.89127
_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 0.50000 0.00000 0.50000 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
Co1 Co 0.23188 0.46283 0.82852 1.00000
Co2 Co 0.76812 0.53717 0.17148 1.00000
H1 H 0.97507 0.95157 0.27261 1.00000
H2 H 0.27107 0.54374 0.13659 1.00000
H3 H 0.57151 0.14481 0.15791 1.00000
H4 H 0.02493 0.04843 0.72739 1.00000
H5 H 0.72893 0.45626 0.86341 1.00000
H6 H 0.42849 0.85519 0.84209 1.00000
H7 H 0.20874 0.41733 0.57534 1.00000
H8 H 0.79126 0.58267 0.42466 1.00000
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