Tb2SiAs
Alexandria ALEXAlex-ID: agm005754647 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_434_spg63
TbSi TbAs
2023-07-13 12:13:53.658310
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005754647).
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 agm005754647
data_agm005754647
_cell_length_a 3.96355
_cell_length_b 4.24166
_cell_length_c 11.49727
_cell_angle_alpha 100.62988
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 189.97578
_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 0.75000 0.68474 0.36947 1.00000
Tb2 Tb 0.25000 0.31526 0.63053 1.00000
Tb3 Tb 0.75000 0.93541 0.87083 1.00000
Tb4 Tb 0.25000 0.06459 0.12917 1.00000
Si1 Si 0.25000 0.46366 0.92732 1.00000
Si2 Si 0.75000 0.53634 0.07268 1.00000
As1 As 0.25000 0.18816 0.37633 1.00000
As2 As 0.75000 0.81184 0.62367 1.00000
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