HoH9
Alexandria ALEXAlex-ID: agm006199508 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB9_31_spg8
HoH11 HoH3
2024-02-06 19:56:38
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006199508).
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 agm006199508
data_agm006199508
_cell_length_a 6.14597
_cell_length_b 3.55044
_cell_length_c 9.03842
_cell_angle_alpha 113.85952
_cell_angle_beta 75.60265
_cell_angle_gamma 150.02936
_cell_volume 87.84200
_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
H1 H 0.08219 0.58906 0.48845 1.00000
H2 H 0.98808 0.12168 0.64289 1.00000
H3 H 0.35478 0.38340 0.81639 1.00000
H4 H 0.08125 0.59584 0.40690 1.00000
H5 H 0.23853 0.20414 0.25158 1.00000
H6 H 0.36742 0.20645 0.23816 1.00000
H7 H 0.75145 0.81769 0.65335 1.00000
H8 H 0.76405 0.62997 0.94702 1.00000
H9 H 0.50817 0.88182 0.07655 1.00000
Ho1 Ho 0.09648 0.62732 0.94687 1.00000
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