Y2HoN3
Alexandria ALEXAlex-ID: agm014433697 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_5_spg15
Y4HoN5 YHo4N5
2024-12-31 12:56:16
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm014433697).
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 agm014433697
data_agm014433697
_cell_length_a 6.00815
_cell_length_b 6.00815
_cell_length_c 6.00805
_cell_angle_alpha 80.40672
_cell_angle_beta 99.59328
_cell_angle_gamma 60.00231
_cell_volume 177.08664
_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
Y1 Y 0.91663 0.91663 0.75000 1.00000
Y2 Y 0.25015 0.25015 0.75000 1.00000
Y3 Y 0.08337 0.08337 0.25000 1.00000
Y4 Y 0.74985 0.74985 0.25000 1.00000
Ho1 Ho 0.58311 0.58311 0.75000 1.00000
Ho2 Ho 0.41689 0.41689 0.25000 1.00000
N1 N 0.66529 0.16947 0.00013 1.00000
N2 N 0.83053 0.33471 0.50013 1.00000
N3 N 0.00000 0.50000 0.00000 1.00000
N4 N 0.33471 0.83053 0.99987 1.00000
N5 N 0.50000 0.00000 0.50000 1.00000
N6 N 0.16947 0.66529 0.49987 1.00000
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