Tb7SmMg4
Alexandria ALEXAlex-ID: agm003668840 · 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
AB4C7_86_spg12
Tb5Sm TbSmMg2 Tb2Mg
2022-04-20 11:01:24.875482
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003668840).
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 agm003668840
data_agm003668840
_cell_length_a 5.75554
_cell_length_b 9.08745
_cell_length_c 8.09695
_cell_angle_alpha 68.55661
_cell_angle_beta 69.18117
_cell_angle_gamma 71.53802
_cell_volume 359.85752
_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 0.79802 0.87701 0.52694 1.00000
Tb2 Tb 0.20198 0.12299 0.47306 1.00000
Tb3 Tb 0.07999 0.57451 0.26551 1.00000
Tb4 Tb 0.92001 0.42549 0.73449 1.00000
Tb5 Tb 0.25177 0.71041 0.78605 1.00000
Tb6 Tb 0.50000 0.00000 0.00000 1.00000
Tb7 Tb 0.74823 0.28959 0.21395 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.54120 0.30268 0.61493 1.00000
Mg2 Mg 0.45880 0.69732 0.38507 1.00000
Mg3 Mg 0.67515 0.65427 0.99543 1.00000
Mg4 Mg 0.32485 0.34573 0.00457 1.00000
获取直接链接