YHoH6
Alexandria ALEXAlex-ID: agm076185366 · 空间群: P-6 (#174)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_41_spg38
YH3 HoH3
2025-06-26 06:51:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076185366).
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 agm076185366
data_agm076185366
_cell_length_a 3.50579
_cell_length_b 6.51950
_cell_length_c 5.52118
_cell_angle_alpha 65.37429
_cell_angle_beta 89.96949
_cell_angle_gamma 57.46218
_cell_volume 92.50135
_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 0.57329 0.86424 0.61358 1.00000
Ho1 Ho 0.73924 0.19824 0.94888 1.00000
H1 H 0.31668 0.62092 0.60306 1.00000
H2 H 0.08405 0.85322 0.86666 1.00000
H3 H 0.00006 0.43730 0.96243 1.00000
H4 H 0.81943 0.11816 0.37323 1.00000
H5 H 0.49182 0.94566 0.18501 1.00000
H6 H 0.22543 0.21226 0.69715 1.00000
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