HoBe2Zn9
Alexandria ALEXAlex-ID: agm005920249 · 空间群: I4_1/amd (#141)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C9_2_spg141
Ho2Zn17 HoBe13 Zn
2023-07-24 05:35:08.413220
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005920249).
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 agm005920249
data_agm005920249
_cell_length_a 6.57983
_cell_length_b 7.97922
_cell_length_c 7.97922
_cell_angle_alpha 80.21218
_cell_angle_beta 65.64995
_cell_angle_gamma 65.64994
_cell_volume 347.70782
_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 0.00000 1.00000
Ho2 Ho 0.25000 0.50000 0.50000 1.00000
Be1 Be 0.87500 0.25000 0.75000 1.00000
Be2 Be 0.87500 0.75000 0.25000 1.00000
Be3 Be 0.87500 0.25000 0.25000 1.00000
Be4 Be 0.37500 0.75000 0.75000 1.00000
Zn1 Zn 0.75000 0.50000 0.50000 1.00000
Zn2 Zn 0.00000 0.00000 0.00000 1.00000
Zn3 Zn 0.00981 0.92142 0.67782 1.00000
Zn4 Zn 0.60905 0.07858 0.32218 1.00000
Zn5 Zn 0.68123 0.17782 0.57858 1.00000
Zn6 Zn 0.43763 0.82218 0.42142 1.00000
Zn7 Zn 0.74019 0.82218 0.57858 1.00000
Zn8 Zn 0.14095 0.17782 0.42142 1.00000
Zn9 Zn 0.06877 0.92142 0.32218 1.00000
Zn10 Zn 0.31237 0.07858 0.67782 1.00000
Zn11 Zn 0.74019 0.57858 0.82218 1.00000
Zn12 Zn 0.14095 0.42142 0.17782 1.00000
Zn13 Zn 0.06877 0.32218 0.92142 1.00000
Zn14 Zn 0.31237 0.67782 0.07858 1.00000
Zn15 Zn 0.00981 0.67782 0.92142 1.00000
Zn16 Zn 0.60905 0.32218 0.07858 1.00000
Zn17 Zn 0.68123 0.57858 0.17782 1.00000
Zn18 Zn 0.43763 0.42142 0.82218 1.00000
