YHoN2
Alexandria ALEXAlex-ID: agm080803172 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_12860_spg2
Y4HoN5 YHo4N5
2025-02-25 06:32:03
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm080803172).
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 agm080803172
data_agm080803172
_cell_length_a 5.99977
_cell_length_b 6.92890
_cell_length_c 8.48513
_cell_angle_alpha 90.00056
_cell_angle_beta 90.00048
_cell_angle_gamma 89.99931
_cell_volume 352.74259
_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 0.41652 0.12516 0.66624 1.00000
Y2 Y 0.58348 0.87484 0.33376 1.00000
Y3 Y 0.75014 0.62484 0.99980 1.00000
Y4 Y 0.24976 0.87488 0.00005 1.00000
Y5 Y 0.75024 0.12512 0.99995 1.00000
Y6 Y 0.24986 0.37516 0.00020 1.00000
Ho1 Ho 0.91663 0.37534 0.66602 1.00000
Ho2 Ho 0.08338 0.62466 0.33398 1.00000
Ho3 Ho 0.41654 0.62484 0.66627 1.00000
Ho4 Ho 0.58346 0.37516 0.33373 1.00000
Ho5 Ho 0.91682 0.87478 0.66620 1.00000
Ho6 Ho 0.08318 0.12522 0.33380 1.00000
N1 N 0.41612 0.12589 0.16792 1.00000
N2 N 0.58388 0.87411 0.83208 1.00000
N3 N 0.91636 0.37504 0.16859 1.00000
N4 N 0.08189 0.12488 0.83217 1.00000
N5 N 0.41611 0.62393 0.16795 1.00000
N6 N 0.58389 0.37607 0.83205 1.00000
N7 N 0.08364 0.62496 0.83141 1.00000
N8 N 0.91811 0.87512 0.16783 1.00000
N9 N 0.24798 0.87412 0.50007 1.00000
N10 N 0.75202 0.12588 0.49993 1.00000
N11 N 0.75031 0.62393 0.50069 1.00000
N12 N 0.24969 0.37607 0.49931 1.00000
