Tb2SmN3
Alexandria ALEXAlex-ID: agm005659522 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_35_spg14
SmN TbN
2023-08-23 22:52:28.861226
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659522).
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 agm005659522
data_agm005659522
_cell_length_a 4.98939
_cell_length_b 7.06118
_cell_length_c 10.59112
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00019
_cell_volume 373.13542
_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 0.25000 0.87356 0.74913 1.00000
Tb2 Tb 0.25000 0.37356 0.75087 1.00000
Tb3 Tb 0.25000 0.87490 0.41672 1.00000
Tb4 Tb 0.25000 0.37490 0.08328 1.00000
Tb5 Tb 0.75000 0.62510 0.91672 1.00000
Tb6 Tb 0.75000 0.12510 0.58328 1.00000
Tb7 Tb 0.75000 0.62644 0.24913 1.00000
Tb8 Tb 0.75000 0.12644 0.25087 1.00000
Sm1 Sm 0.25000 0.87349 0.08366 1.00000
Sm2 Sm 0.25000 0.37349 0.41634 1.00000
Sm3 Sm 0.75000 0.62651 0.58366 1.00000
Sm4 Sm 0.75000 0.12651 0.91634 1.00000
N1 N 0.25000 0.63292 0.58436 1.00000
N2 N 0.25000 0.13292 0.91564 1.00000
N3 N 0.25001 0.62312 0.91433 1.00000
N4 N 0.25001 0.12312 0.58567 1.00000
N5 N 0.24999 0.62790 0.25124 1.00000
N6 N 0.24999 0.12790 0.24876 1.00000
N7 N 0.75001 0.87210 0.75124 1.00000
N8 N 0.75001 0.37210 0.74876 1.00000
N9 N 0.74999 0.87688 0.41433 1.00000
N10 N 0.74999 0.37688 0.08567 1.00000
N11 N 0.75000 0.86708 0.08436 1.00000
N12 N 0.75000 0.36708 0.41564 1.00000
