Th3(UFe2)2
Alexandria ALEXAlex-ID: agm005626257 · 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
A2B3C4_361_spg12
Th3(UFe2)2
2023-06-30 20:16:59.791606
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005626257).
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 agm005626257
data_agm005626257
_cell_length_a 3.99103
_cell_length_b 5.83472
_cell_length_c 8.59269
_cell_angle_alpha 102.51907
_cell_angle_beta 90.01322
_cell_angle_gamma 110.02096
_cell_volume 182.92643
_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
Th1 Th 0.37168 0.74339 0.61210 1.00000
Th2 Th 0.00000 0.00000 0.00000 1.00000
Th3 Th 0.62832 0.25661 0.38790 1.00000
U1 U 0.32169 0.64313 0.21960 1.00000
U2 U 0.67831 0.35687 0.78040 1.00000
Fe1 Fe 0.72616 0.45237 0.09033 1.00000
Fe2 Fe 0.08428 0.16857 0.65914 1.00000
Fe3 Fe 0.91572 0.83143 0.34086 1.00000
Fe4 Fe 0.27384 0.54763 0.90967 1.00000
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