ThH4Os2Ru
Alexandria ALEXAlex-ID: agm007490819 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_353_spg1
ThH3Ru Os5Ru ThH6Os
2024-03-05 11:35:22.253943
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007490819).
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 agm007490819
data_agm007490819
_cell_length_a 4.63060
_cell_length_b 4.59762
_cell_length_c 5.52690
_cell_angle_alpha 88.71007
_cell_angle_beta 114.78968
_cell_angle_gamma 120.96581
_cell_volume 88.73204
_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 0.42758 0.51736 0.48951 1.00000
H1 H 0.76296 0.39874 0.28345 1.00000
H2 H 0.09067 0.63640 0.69300 1.00000
H3 H 0.78884 0.93719 0.27543 1.00000
H4 H 0.56487 0.08539 0.69265 1.00000
Os1 Os 0.42875 0.01340 0.97853 1.00000
Os2 Os 0.87984 0.72062 0.09662 1.00000
Ru1 Ru 0.05649 0.30383 0.87787 1.00000
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