TmSb(HRu)2
Alexandria ALEXAlex-ID: agm006759060 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D2_207_spg63
Tm4Sb6Ru7 TmH5Ru Sb2Ru Ru
2024-03-15 15:57:14.402701
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006759060).
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 agm006759060
data_agm006759060
_cell_length_a 6.05893
_cell_length_b 4.85563
_cell_length_c 6.29466
_cell_angle_alpha 60.68727
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 161.47700
_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 0.75000 0.51135 0.28634 1.00000
Tm2 Tm 0.25000 0.48865 0.71366 1.00000
Sb1 Sb 0.25000 0.62300 0.15099 1.00000
Sb2 Sb 0.75000 0.37700 0.84901 1.00000
H1 H 0.25000 0.10780 0.63522 1.00000
H2 H 0.25000 0.00373 0.41266 1.00000
H3 H 0.75000 0.89220 0.36478 1.00000
H4 H 0.75000 0.99627 0.58734 1.00000
Ru1 Ru 0.51359 0.95629 0.75929 1.00000
Ru2 Ru 0.98641 0.95629 0.75929 1.00000
Ru3 Ru 0.01359 0.04371 0.24071 1.00000
Ru4 Ru 0.48641 0.04371 0.24071 1.00000
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