TlZn2H7
Alexandria ALEXAlex-ID: agm006201893 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C7_892_spg1
ZnH2 TlH3
2023-12-28 18:30:31
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006201893).
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 agm006201893
data_agm006201893
_cell_length_a 8.08503
_cell_length_b 5.63081
_cell_length_c 4.94971
_cell_angle_alpha 126.10025
_cell_angle_beta 45.45586
_cell_angle_gamma 119.79482
_cell_volume 128.38833
_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 0.93375 0.66698 0.08103 1.00000
H2 H 0.01265 0.04471 0.91269 1.00000
H3 H 0.24350 0.66242 0.15191 1.00000
H4 H 0.28595 0.27957 0.28563 1.00000
H5 H 0.47337 0.85566 0.49673 1.00000
H6 H 0.70316 0.04922 0.84163 1.00000
H7 H 0.66048 0.43174 0.70786 1.00000
Tl1 Tl 0.97310 0.35583 0.99697 1.00000
Zn1 Zn 0.53100 0.10984 0.84146 1.00000
Zn2 Zn 0.41543 0.60142 0.15224 1.00000
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