Tb6Er2Pu
Alexandria ALEXAlex-ID: agm005647892 · 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
AB2C6_2212_spg12
Tb5Er4 Tb5Er Pu
2023-07-09 20:55:48.229741
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005647892).
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 agm005647892
data_agm005647892
_cell_length_a 3.50388
_cell_length_b 8.36535
_cell_length_c 10.17707
_cell_angle_alpha 103.68572
_cell_angle_beta 99.76013
_cell_angle_gamma 77.99748
_cell_volume 281.21550
_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 0.39077 0.16275 0.94377 1.00000
Tb2 Tb 0.60923 0.83725 0.05623 1.00000
Tb3 Tb 0.03993 0.17949 0.26225 1.00000
Tb4 Tb 0.22162 0.16810 0.61002 1.00000
Tb5 Tb 0.96007 0.82051 0.73775 1.00000
Tb6 Tb 0.77838 0.83190 0.38998 1.00000
Er1 Er 0.68154 0.47699 0.83797 1.00000
Er2 Er 0.31846 0.52301 0.16203 1.00000
Pu1 Pu 0.50000 0.50000 0.50000 1.00000
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