Tb4Er5Pu
Alexandria ALEXAlex-ID: agm003661185 · 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
AB4C5_149_spg79
Tb5Er4 TbEr2 Pu
2022-04-08 07:21:42.241319
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661185).
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 agm003661185
data_agm003661185
_cell_length_a 5.39596
_cell_length_b 8.10619
_cell_length_c 8.10619
_cell_angle_alpha 83.63998
_cell_angle_beta 70.55941
_cell_angle_gamma 70.55939
_cell_volume 315.29233
_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 0.49993 0.32360 0.67642 1.00000
Tb2 Tb 0.82353 0.67642 0.67640 1.00000
Tb3 Tb 0.17635 0.32358 0.32360 1.00000
Tb4 Tb 0.49995 0.67640 0.32358 1.00000
Er1 Er 0.81636 0.36771 0.99998 1.00000
Er2 Er 0.18407 0.99998 0.63229 1.00000
Er3 Er 0.81634 0.00002 0.36771 1.00000
Er4 Er 0.18405 0.63229 0.00002 1.00000
Er5 Er 0.50448 1.00000 1.00000 1.00000
Pu1 Pu 0.00523 0.00000 0.00000 1.00000
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