La2Tb2Mg
Alexandria ALEXAlex-ID: agm003398166 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_581_spg139
LaTb7 La3Tb5 LaMg
2022-02-11 04:05:14.935911
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003398166).
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
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# CIF generated by HEAS from Alexandria entry agm003398166
data_agm003398166
_cell_length_a 4.46606
_cell_length_b 4.46606
_cell_length_c 9.57086
_cell_angle_alpha 103.49235
_cell_angle_beta 103.49235
_cell_angle_gamma 90.00000
_cell_volume 180.20617
_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
La1 La 0.40867 0.40867 0.81735 1.00000
La2 La 0.59133 0.59133 0.18265 1.00000
Tb1 Tb 0.75000 0.25000 0.50000 1.00000
Tb2 Tb 0.25000 0.75000 0.50000 1.00000
Mg1 Mg 0.00000 0.00000 0.00000 1.00000
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