ThSnH6Ru
Alexandria ALEXAlex-ID: agm006973099 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD6_154_spg5
ThH6Ru Sn
2024-01-31 18:21:09
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006973099).
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 agm006973099
data_agm006973099
_cell_length_a 4.60599
_cell_length_b 5.35085
_cell_length_c 4.84116
_cell_angle_alpha 104.81333
_cell_angle_beta 118.40750
_cell_angle_gamma 89.99914
_cell_volume 100.41673
_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 0.02185 0.84092 0.04373 1.00000
Sn1 Sn 0.75365 0.20074 0.50732 1.00000
H1 H 0.97646 0.71199 0.48211 1.00000
H2 H 0.10593 0.33929 0.21196 1.00000
H3 H 0.64461 0.42205 0.86323 1.00000
H4 H 0.21860 0.42209 0.86325 1.00000
H5 H 0.46825 0.81415 0.93651 1.00000
H6 H 0.50562 0.71196 0.48209 1.00000
Ru1 Ru 0.30479 0.53691 0.60960 1.00000
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