TbNdS3
Alexandria ALEXAlex-ID: agm003710123 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_5139_spg11
TbNdS3
2022-04-18 00:48:30.082134
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003710123).
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 agm003710123
data_agm003710123
_cell_length_a 3.97757
_cell_length_b 7.90184
_cell_length_c 7.87767
_cell_angle_alpha 94.34089
_cell_angle_beta 89.99992
_cell_angle_gamma 89.99992
_cell_volume 246.88605
_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 0.25001 0.85344 0.32149 1.00000
Tb2 Tb 0.74999 0.14656 0.67851 1.00000
Nd1 Nd 0.25000 0.37838 0.23048 1.00000
Nd2 Nd 0.75000 0.62162 0.76952 1.00000
S1 S 0.75001 0.62540 0.38622 1.00000
S2 S 0.24999 0.37460 0.61378 1.00000
S3 S 0.74999 0.31992 0.97813 1.00000
S4 S 0.25000 0.90062 0.67942 1.00000
S5 S 0.25001 0.68008 0.02187 1.00000
S6 S 0.75000 0.09938 0.32058 1.00000
