Tb3U3Fe8
Alexandria ALEXAlex-ID: agm005688808 · 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
A3B3C8_0_spg71
TbUFe2 Fe
2023-06-29 11:54:46.616803
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688808).
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 agm005688808
data_agm005688808
_cell_length_a 4.50470
_cell_length_b 7.52241
_cell_length_c 8.09189
_cell_angle_alpha 67.93315
_cell_angle_beta 73.83847
_cell_angle_gamma 72.57733
_cell_volume 238.15492
_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 0.30424 0.76803 0.62349 1.00000
Tb2 Tb 0.69576 0.23197 0.37651 1.00000
Tb3 Tb 0.00000 0.00000 0.00000 1.00000
U1 U 0.00000 0.50000 0.50000 1.00000
U2 U 0.67359 0.69368 0.95915 1.00000
U3 U 0.32641 0.30632 0.04085 1.00000
Fe1 Fe 0.08926 0.18412 0.63736 1.00000
Fe2 Fe 0.91074 0.81588 0.36264 1.00000
Fe3 Fe 0.87037 0.43337 0.82590 1.00000
Fe4 Fe 0.12963 0.56663 0.17410 1.00000
Fe5 Fe 0.52836 0.70322 0.24007 1.00000
Fe6 Fe 0.47164 0.29678 0.75993 1.00000
Fe7 Fe 0.35009 0.04373 0.25610 1.00000
Fe8 Fe 0.64991 0.95627 0.74390 1.00000
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