CsHo2H7
Alexandria ALEXAlex-ID: agm006207635 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_564_spg12
HoH3 CsH
2024-02-01 07:39:00
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006207635).
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 agm006207635
data_agm006207635
_cell_length_a 7.20554
_cell_length_b 5.49900
_cell_length_c 7.20561
_cell_angle_alpha 112.43434
_cell_angle_beta 29.27600
_cell_angle_gamma 112.43596
_cell_volume 128.29932
_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 0.15934 0.82169 0.18286 1.00000
H2 H 0.80320 0.89149 0.82669 1.00000
H3 H 0.65562 0.58551 0.67920 1.00000
H4 H 0.14324 0.23182 0.16676 1.00000
H5 H 0.47388 0.83358 0.49746 1.00000
H6 H 0.29072 0.22073 0.31433 1.00000
H7 H 0.78708 0.44949 0.81061 1.00000
Ho1 Ho 0.67712 0.03438 0.70063 1.00000
Ho2 Ho 0.26921 0.62645 0.29269 1.00000
Cs1 Cs 0.97299 0.36226 0.99694 1.00000
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