Tm2H7Ru2
Alexandria ALEXAlex-ID: agm007252283 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C7_256_spg12
TmH5Ru Tm2H4Ru Ru
2024-05-09 21:28:23.757223
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007252283).
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 agm007252283
data_agm007252283
_cell_length_a 5.84857
_cell_length_b 5.84857
_cell_length_c 5.84857
_cell_angle_alpha 142.64593
_cell_angle_beta 115.23104
_cell_angle_gamma 77.22220
_cell_volume 107.24771
_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
Tm1 Tm 0.31001 0.81778 0.50777 1.00000
Tm2 Tm 0.68999 0.19776 0.50777 1.00000
H1 H 0.90122 0.69903 0.23052 1.00000
H2 H 0.46851 0.69903 0.79781 1.00000
H3 H 0.09878 0.32930 0.79781 1.00000
H4 H 0.53149 0.32930 0.23052 1.00000
H5 H 0.23119 0.00922 0.24041 1.00000
H6 H 0.50000 0.35744 0.85744 1.00000
H7 H 0.76881 0.00922 0.77803 1.00000
Ru1 Ru 0.75590 0.51921 0.27511 1.00000
Ru2 Ru 0.24410 0.51921 0.76332 1.00000
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