HoZnH5
Alexandria ALEXAlex-ID: agm007354780 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC5_618_spg63
ZnH2 HoH3
2024-02-09 08:41:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007354780).
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 agm007354780
data_agm007354780
_cell_length_a 8.55499
_cell_length_b 8.55499
_cell_length_c 4.90440
_cell_angle_alpha 89.86338
_cell_angle_beta 89.86338
_cell_angle_gamma 155.77132
_cell_volume 147.29309
_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
Ho1 Ho 0.29074 0.70926 0.75000 1.00000
Ho2 Ho 0.70926 0.29074 0.25000 1.00000
Zn1 Zn 0.00343 0.99657 0.75000 1.00000
Zn2 Zn 0.99657 0.00343 0.25000 1.00000
H1 H 0.18797 0.29580 0.99228 1.00000
H2 H 0.19149 0.81660 0.00878 1.00000
H3 H 0.29459 0.70541 0.25000 1.00000
H4 H 0.18340 0.80851 0.49122 1.00000
H5 H 0.29580 0.18797 0.49228 1.00000
H6 H 0.70420 0.81203 0.50772 1.00000
H7 H 0.81660 0.19149 0.50878 1.00000
H8 H 0.70541 0.29459 0.75000 1.00000
H9 H 0.80851 0.18340 0.99122 1.00000
H10 H 0.81203 0.70420 0.00772 1.00000
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