Tb2NpBi3
Alexandria ALEXAlex-ID: agm005836331 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_36_spg70
Np2Bi Bi TbBi
2023-08-25 05:06:44.407554
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005836331).
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 agm005836331
data_agm005836331
_cell_length_a 7.79875
_cell_length_b 7.79875
_cell_length_c 14.22933
_cell_angle_alpha 100.54653
_cell_angle_beta 100.54652
_cell_angle_gamma 109.39539
_cell_volume 774.29472
_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 0.00005 0.50005 0.00009 1.00000
Tb2 Tb 0.41692 0.41692 0.83383 1.00000
Tb3 Tb 0.83308 0.33308 0.66617 1.00000
Tb4 Tb 0.24995 0.24995 0.49991 1.00000
Tb5 Tb 0.75005 0.75005 0.50009 1.00000
Tb6 Tb 0.66692 0.16692 0.33383 1.00000
Tb7 Tb 0.58308 0.58308 0.16617 1.00000
Tb8 Tb 0.49995 0.99995 0.99991 1.00000
Np1 Np 0.91659 0.91659 0.83319 1.00000
Np2 Np 0.33341 0.83341 0.66681 1.00000
Np3 Np 0.16659 0.66659 0.33319 1.00000
Np4 Np 0.08341 0.08341 0.16681 1.00000
Bi1 Bi 0.16595 0.66589 0.83328 1.00000
Bi2 Bi 0.66732 0.16738 0.83328 1.00000
Bi3 Bi 0.08405 0.08411 0.66672 1.00000
Bi4 Bi 0.58268 0.58262 0.66672 1.00000
Bi5 Bi 0.99934 0.49934 0.50000 1.00000
Bi6 Bi 0.50066 0.00066 0.50000 1.00000
Bi7 Bi 0.41738 0.41732 0.33328 1.00000
Bi8 Bi 0.91589 0.91595 0.33328 1.00000
Bi9 Bi 0.83262 0.33268 0.16672 1.00000
Bi10 Bi 0.33411 0.83405 0.16672 1.00000
Bi11 Bi 0.25066 0.25066 1.00000 1.00000
Bi12 Bi 0.74934 0.74934 0.00000 1.00000
