Tb2Si4Os3
Alexandria ALEXAlex-ID: agm005661085 · 空间群: Cmce (#64)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C4_724_spg64
TbSi Tb(SiOs)2 Tb2Si5Os3
2023-06-28 08:47:54.928233
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005661085).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005661085
data_agm005661085
_cell_length_a 5.77753
_cell_length_b 7.00978
_cell_length_c 7.89498
_cell_angle_alpha 90.00000
_cell_angle_beta 111.46293
_cell_angle_gamma 90.00000
_cell_volume 297.56835
_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
Tb1 Tb 0.11047 0.59280 0.22095 1.00000
Tb2 Tb 0.88953 0.40720 0.77905 1.00000
Tb3 Tb 0.38953 0.09280 0.77905 1.00000
Tb4 Tb 0.61047 0.90720 0.22095 1.00000
Si1 Si 0.68877 0.75000 0.87753 1.00000
Si2 Si 0.81123 0.25000 0.12247 1.00000
Si3 Si 0.31123 0.25000 0.12247 1.00000
Si4 Si 0.18877 0.75000 0.87753 1.00000
Si5 Si 0.17827 0.97949 0.35654 1.00000
Si6 Si 0.82173 0.02051 0.64346 1.00000
Si7 Si 0.32173 0.47949 0.64346 1.00000
Si8 Si 0.67827 0.52051 0.35654 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
Os2 Os 0.50000 0.50000 0.00000 1.00000
Os3 Os 0.52278 0.75000 0.54555 1.00000
Os4 Os 0.97722 0.25000 0.45445 1.00000
Os5 Os 0.47722 0.25000 0.45445 1.00000
Os6 Os 0.02278 0.75000 0.54555 1.00000
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