TbPu3Fe8
Alexandria ALEXAlex-ID: agm005995040 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_29_spg160
Tb3(PuFe2)2 TbFe3 PuFe2
2023-09-08 02:34:06.231535
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005995040).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005995040
data_agm005995040
_cell_length_a 5.06659
_cell_length_b 5.06643
_cell_length_c 8.79891
_cell_angle_alpha 73.27096
_cell_angle_beta 73.27150
_cell_angle_gamma 59.97578
_cell_volume 184.44142
_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 0.87609 0.87609 0.37197 1.00000
Pu1 Pu 0.37550 0.37551 0.87304 1.00000
Pu2 Pu 0.00661 0.00661 0.98007 1.00000
Pu3 Pu 0.49324 0.49324 0.52110 1.00000
Fe1 Fe 0.93658 0.43758 0.18812 1.00000
Fe2 Fe 0.43921 0.93643 0.68780 1.00000
Fe3 Fe 0.43750 0.43750 0.18816 1.00000
Fe4 Fe 0.93639 0.93639 0.68779 1.00000
Fe5 Fe 0.19127 0.19126 0.42669 1.00000
Fe6 Fe 0.68360 0.68361 0.94933 1.00000
Fe7 Fe 0.43758 0.93658 0.18813 1.00000
Fe8 Fe 0.93643 0.43921 0.68781 1.00000
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