TbNiBr
Alexandria ALEXAlex-ID: agm003602452 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_317_spg166
TbNiBr
2022-03-15 13:32:49.198294
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003602452).
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 agm003602452
data_agm003602452
_cell_length_a 4.00040
_cell_length_b 4.00040
_cell_length_c 11.45093
_cell_angle_alpha 90.24881
_cell_angle_beta 99.80985
_cell_angle_gamma 119.99131
_cell_volume 155.53095
_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 0.89253 0.44431 0.33684 1.00000
Tb2 Tb 0.10747 0.55569 0.66316 1.00000
Ni1 Ni 0.32646 0.16308 0.48954 1.00000
Ni2 Ni 0.67354 0.83692 0.51046 1.00000
Br1 Br 0.55250 0.28025 0.83275 1.00000
Br2 Br 0.44750 0.71975 0.16725 1.00000
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