Tb3Sn3Rh
Alexandria ALEXAlex-ID: agm005936498 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C3_609_spg12
TbSnRh TbSn
2023-08-06 15:39:57.800040
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005936498).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005936498
data_agm005936498
_cell_length_a 4.50350
_cell_length_b 6.01595
_cell_length_c 14.34144
_cell_angle_alpha 84.11974
_cell_angle_beta 80.96659
_cell_angle_gamma 68.01912
_cell_volume 355.43241
_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 0.52118 0.33806 0.61958 1.00000
Tb2 Tb 0.47882 0.66194 0.38042 1.00000
Tb3 Tb 0.26339 0.23278 0.24044 1.00000
Tb4 Tb 0.73661 0.76722 0.75956 1.00000
Tb5 Tb 0.40126 0.27518 0.92230 1.00000
Tb6 Tb 0.59874 0.72482 0.07770 1.00000
Sn1 Sn 0.85344 0.75764 0.53547 1.00000
Sn2 Sn 0.14656 0.24236 0.46453 1.00000
Sn3 Sn 0.12687 0.82297 0.92330 1.00000
Sn4 Sn 0.87313 0.17703 0.07670 1.00000
Sn5 Sn 0.97896 0.80774 0.23433 1.00000
Sn6 Sn 0.02104 0.19226 0.76567 1.00000
Rh1 Rh 0.75610 0.10407 0.38374 1.00000
Rh2 Rh 0.24390 0.89593 0.61626 1.00000
获取直接链接