Tb(NdI4)2
Alexandria ALEXAlex-ID: agm003523930 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C8_390_spg12
NdI3 NdI2 TbI3
2022-03-15 09:30:03.902893
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003523930).
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 agm003523930
data_agm003523930
_cell_length_a 6.62148
_cell_length_b 9.89869
_cell_length_c 9.89869
_cell_angle_alpha 69.52709
_cell_angle_beta 89.74429
_cell_angle_gamma 89.74429
_cell_volume 607.81055
_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 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.30338 0.19206 0.19206 1.00000
Nd2 Nd 0.69662 0.80794 0.80794 1.00000
I1 I 0.75128 0.13101 0.72028 1.00000
I2 I 0.24872 0.27972 0.86899 1.00000
I3 I 0.78206 0.17301 0.17301 1.00000
I4 I 0.21794 0.82699 0.82699 1.00000
I5 I 0.75128 0.72028 0.13101 1.00000
I6 I 0.24872 0.86899 0.27972 1.00000
I7 I 0.25680 0.37171 0.37171 1.00000
I8 I 0.74320 0.62829 0.62829 1.00000
获取直接链接