TmSi2Ru
Alexandria ALEXAlex-ID: agm005693592 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_1446_spg62
Tm2Si5Ru3 TmSi
2023-07-13 12:08:59.539278
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693592).
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 agm005693592
data_agm005693592
_cell_length_a 3.95618
_cell_length_b 6.95972
_cell_length_c 9.92763
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 273.34679
_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 0.84907 0.12658 1.00000
Tm2 Tm 0.25000 0.15093 0.87342 1.00000
Tm3 Tm 0.75000 0.34907 0.37342 1.00000
Tm4 Tm 0.25000 0.65093 0.62658 1.00000
Si1 Si 0.75000 0.85237 0.81809 1.00000
Si2 Si 0.25000 0.14763 0.18191 1.00000
Si3 Si 0.75000 0.35237 0.68191 1.00000
Si4 Si 0.25000 0.64763 0.31809 1.00000
Si5 Si 0.75000 0.79753 0.42711 1.00000
Si6 Si 0.25000 0.70247 0.92711 1.00000
Si7 Si 0.75000 0.29753 0.07289 1.00000
Si8 Si 0.25000 0.20247 0.57289 1.00000
Ru1 Ru 0.25000 0.48603 0.11158 1.00000
Ru2 Ru 0.25000 0.98603 0.38842 1.00000
Ru3 Ru 0.75000 0.51397 0.88842 1.00000
Ru4 Ru 0.75000 0.01397 0.61158 1.00000
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