TlZnH6Ru
Alexandria ALEXAlex-ID: agm006901076 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD6_126_spg5
Zn2H6Ru TlH3 Ru
2024-03-16 01:05:17.948492
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006901076).
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 agm006901076
data_agm006901076
_cell_length_a 4.44221
_cell_length_b 4.44221
_cell_length_c 5.76539
_cell_angle_alpha 91.39370
_cell_angle_beta 91.39370
_cell_angle_gamma 114.69582
_cell_volume 103.25925
_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
Tl1 Tl 0.00143 0.99857 0.50000 1.00000
Zn1 Zn 0.32154 0.67846 0.00000 1.00000
H1 H 0.97615 0.46163 0.22544 1.00000
H2 H 0.53837 0.02385 0.77456 1.00000
H3 H 0.31543 0.26315 0.94688 1.00000
H4 H 0.93822 0.52592 0.78293 1.00000
H5 H 0.73685 0.68457 0.05312 1.00000
H6 H 0.47408 0.06178 0.21707 1.00000
Ru1 Ru 0.69895 0.30105 0.00000 1.00000
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