HoZnH4
Alexandria ALEXAlex-ID: agm002280331 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC4_206_spg11
ZnH2 HoH3 Zn
2019-01-04 17:57:35
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002280331).
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
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# CIF generated by HEAS from Alexandria entry agm002280331
data_agm002280331
_cell_length_a 3.59427
_cell_length_b 5.52189
_cell_length_c 5.90556
_cell_angle_alpha 90.00000
_cell_angle_beta 107.94086
_cell_angle_gamma 90.00000
_cell_volume 111.50927
_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 0.30204 0.96841 0.63934 1.00000
H2 H 0.69796 0.46841 0.36066 1.00000
H3 H 0.30191 0.44812 0.63914 1.00000
H4 H 0.69809 0.94812 0.36086 1.00000
H5 H 0.00017 0.95798 0.00019 1.00000
H6 H 0.99983 0.45798 0.99981 1.00000
H7 H 0.54605 0.20806 0.08707 1.00000
H8 H 0.45395 0.70806 0.91293 1.00000
Zn1 Zn 0.17866 0.20824 0.82136 1.00000
Zn2 Zn 0.82134 0.70824 0.17864 1.00000
Ho1 Ho 0.15863 0.20819 0.31567 1.00000
Ho2 Ho 0.84137 0.70819 0.68433 1.00000
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