Th(ZnH4)2
Alexandria ALEXAlex-ID: agm095966049 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_4_spg2
ZnH2 Th4H15 H2
2025-05-27 09:02:02
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm095966049).
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 agm095966049
data_agm095966049
_cell_length_a 3.58332
_cell_length_b 5.12951
_cell_length_c 6.53363
_cell_angle_alpha 117.36148
_cell_angle_beta 105.91915
_cell_angle_gamma 89.99208
_cell_volume 101.44584
_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
Th1 Th 0.50000 0.00000 0.00000 1.00000
Zn1 Zn 0.84671 0.36305 0.68880 1.00000
Zn2 Zn 0.15329 0.63695 0.31120 1.00000
H1 H 0.60897 0.52317 0.21880 1.00000
H2 H 0.39103 0.47683 0.78120 1.00000
H3 H 0.70021 0.13692 0.40110 1.00000
H4 H 0.29979 0.86308 0.59890 1.00000
H5 H 0.88614 0.74147 0.77236 1.00000
H6 H 0.11386 0.25853 0.22764 1.00000
H7 H 0.07080 0.81702 0.14159 1.00000
H8 H 0.92920 0.18298 0.85841 1.00000
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