Tb3NdMg
Alexandria ALEXAlex-ID: agm003708697 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_5306_spg15
Tb5Nd TbNd2Mg3 Tb
2022-04-16 04:31:57.459077
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003708697).
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 agm003708697
data_agm003708697
_cell_length_a 6.53547
_cell_length_b 9.97873
_cell_length_c 9.97873
_cell_angle_alpha 81.37068
_cell_angle_beta 79.20860
_cell_angle_gamma 79.20860
_cell_volume 623.48264
_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 0.14677 0.72309 0.87120 1.00000
Tb2 Tb 0.35323 0.12880 0.27691 1.00000
Tb3 Tb 0.85323 0.27691 0.12880 1.00000
Tb4 Tb 0.64677 0.87120 0.72309 1.00000
Tb5 Tb 0.36104 0.37652 0.00868 1.00000
Tb6 Tb 0.13896 0.99132 0.62348 1.00000
Tb7 Tb 0.63896 0.62348 0.99132 1.00000
Tb8 Tb 0.86104 0.00868 0.37652 1.00000
Tb9 Tb 0.04071 0.40414 0.79183 1.00000
Tb10 Tb 0.45929 0.20817 0.59586 1.00000
Tb11 Tb 0.95929 0.59586 0.20817 1.00000
Tb12 Tb 0.54071 0.79183 0.40414 1.00000
Nd1 Nd 0.54664 0.52397 0.67705 1.00000
Nd2 Nd 0.95336 0.32295 0.47603 1.00000
Nd3 Nd 0.45336 0.47603 0.32295 1.00000
Nd4 Nd 0.04664 0.67705 0.52397 1.00000
Mg1 Mg 0.75000 0.92620 0.07380 1.00000
Mg2 Mg 0.25000 0.07380 0.92620 1.00000
Mg3 Mg 0.75000 0.16609 0.83391 1.00000
Mg4 Mg 0.25000 0.83391 0.16609 1.00000
