Tb(NiBi2)4
Alexandria ALEXAlex-ID: agm098073142 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_774_spg1
NiBi2 TbNiBi Bi
2025-06-17 10:22:03
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098073142).
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}
}
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# CIF generated by HEAS from Alexandria entry agm098073142
data_agm098073142
_cell_length_a 4.07957
_cell_length_b 9.40035
_cell_length_c 10.08639
_cell_angle_alpha 59.95619
_cell_angle_beta 90.01550
_cell_angle_gamma 90.00011
_cell_volume 334.83640
_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 0.38379 0.06420 0.98710 1.00000
Ni1 Ni 0.88346 0.86980 0.98750 1.00000
Ni2 Ni 0.88330 0.52856 0.14608 1.00000
Ni3 Ni 0.88330 0.40380 0.45394 1.00000
Ni4 Ni 0.88759 0.88231 0.52727 1.00000
Bi1 Bi 0.88343 0.34584 0.00691 1.00000
Bi2 Bi 0.88525 0.73462 0.28543 1.00000
Bi3 Bi 0.38784 0.68555 0.67208 1.00000
Bi4 Bi 0.88427 0.05536 0.67913 1.00000
Bi5 Bi 0.38737 0.01191 0.32941 1.00000
Bi6 Bi 0.38338 0.34956 0.31478 1.00000
Bi7 Bi 0.38358 0.36461 0.64023 1.00000
Bi8 Bi 0.38344 0.70386 0.97012 1.00000
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