Y(ZnH4)2
Alexandria ALEXAlex-ID: agm091663231 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_134_spg2
ZnH2 YH3 H2
2025-06-11 22:40:53
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm091663231).
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 agm091663231
data_agm091663231
_cell_length_a 3.55958
_cell_length_b 6.32658
_cell_length_c 4.72941
_cell_angle_alpha 111.75103
_cell_angle_beta 89.99687
_cell_angle_gamma 106.45618
_cell_volume 94.21041
_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 0.50000 0.00000 0.00000 1.00000
Zn1 Zn 0.84519 0.68661 0.34275 1.00000
Zn2 Zn 0.15481 0.31339 0.65725 1.00000
H1 H 0.09110 0.18200 0.27980 1.00000
H2 H 0.90890 0.81800 0.72020 1.00000
H3 H 0.90623 0.81289 0.08998 1.00000
H4 H 0.09377 0.18711 0.91002 1.00000
H5 H 0.40305 0.80544 0.39974 1.00000
H6 H 0.59695 0.19456 0.60026 1.00000
H7 H 0.29926 0.59982 0.79647 1.00000
H8 H 0.70074 0.40018 0.20353 1.00000
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