HoBe2HN2
Alexandria ALEXAlex-ID: agm006827643 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D2_50_spg11
HoH3 Be3N2 HoN
2024-01-28 18:47:11.601438
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006827643).
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 agm006827643
data_agm006827643
_cell_length_a 5.57448
_cell_length_b 5.57448
_cell_length_c 3.95649
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 109.16201
_cell_volume 116.13544
_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 0.20096 0.79904 0.75000 1.00000
Ho2 Ho 0.79904 0.20096 0.25000 1.00000
Be1 Be 0.68233 0.68233 0.00000 1.00000
Be2 Be 0.68233 0.68233 0.50000 1.00000
Be3 Be 0.31767 0.31767 0.50000 1.00000
Be4 Be 0.31767 0.31767 0.00000 1.00000
H1 H 0.42250 0.57750 0.25000 1.00000
H2 H 0.57750 0.42250 0.75000 1.00000
N1 N 0.89198 0.64882 0.25000 1.00000
N2 N 0.35118 0.10802 0.25000 1.00000
N3 N 0.10802 0.35118 0.75000 1.00000
N4 N 0.64882 0.89198 0.75000 1.00000
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