Tb2NiS
Alexandria ALEXAlex-ID: agm005756683 · 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
Tb6NiS5 TbNi
2023-07-13 15:21:20.694198
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005756683).
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 agm005756683
data_agm005756683
_cell_length_a 3.96152
_cell_length_b 3.84540
_cell_length_c 11.29732
_cell_angle_alpha 99.79890
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 169.58828
_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 0.68498 0.36996 1.00000
Tb2 Tb 0.25000 0.31502 0.63004 1.00000
Tb3 Tb 0.75000 0.93356 0.86712 1.00000
Tb4 Tb 0.25000 0.06644 0.13288 1.00000
Ni1 Ni 0.25000 0.46580 0.93159 1.00000
Ni2 Ni 0.75000 0.53420 0.06841 1.00000
S1 S 0.25000 0.19165 0.38330 1.00000
S2 S 0.75000 0.80835 0.61670 1.00000
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