Tb2NdSb3
Alexandria ALEXAlex-ID: agm034773778 · 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
NdSb TbSb
2025-02-06 11:25:55
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034773778).
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 agm034773778
data_agm034773778
_cell_length_a 14.73197
_cell_length_b 14.05022
_cell_length_c 7.68990
_cell_angle_alpha 79.46413
_cell_angle_beta 69.65955
_cell_angle_gamma 30.87631
_cell_volume 743.52468
_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 0.00083 0.00083 0.49917 1.00000
Tb2 Tb 0.41594 0.41594 0.58406 1.00000
Tb3 Tb 0.83406 0.83406 0.66594 1.00000
Tb4 Tb 0.24917 0.24917 0.75083 1.00000
Tb5 Tb 0.75083 0.75083 0.24917 1.00000
Tb6 Tb 0.66594 0.66594 0.83406 1.00000
Tb7 Tb 0.58406 0.58406 0.41594 1.00000
Tb8 Tb 0.49917 0.49917 0.00083 1.00000
Nd1 Nd 0.91680 0.91680 0.08320 1.00000
Nd2 Nd 0.33320 0.33320 0.16680 1.00000
Nd3 Nd 0.16680 0.16680 0.33320 1.00000
Nd4 Nd 0.08320 0.08320 0.91680 1.00000
Sb1 Sb 0.66809 0.16738 0.82656 1.00000
Sb2 Sb 0.16738 0.66809 0.33797 1.00000
Sb3 Sb 0.58191 0.08262 0.42344 1.00000
Sb4 Sb 0.08262 0.58191 0.91203 1.00000
Sb5 Sb 0.50607 0.99393 0.99393 1.00000
Sb6 Sb 0.99393 0.50607 0.50607 1.00000
Sb7 Sb 0.91203 0.42344 0.08262 1.00000
Sb8 Sb 0.42344 0.91203 0.58191 1.00000
Sb9 Sb 0.33797 0.82656 0.16738 1.00000
Sb10 Sb 0.82656 0.33797 0.66809 1.00000
Sb11 Sb 0.74393 0.25607 0.25607 1.00000
Sb12 Sb 0.25607 0.74393 0.74393 1.00000
