Fe2Tc3
Alexandria ALEXAlex-ID: agm005506869 · 空间群: Fdd2 (#43)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3_55_spg43
Tc Fe
2023-03-20 05:38:20.633824
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005506869).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005506869
data_agm005506869
_cell_length_a 7.77163
_cell_length_b 6.72826
_cell_length_c 5.08451
_cell_angle_alpha 80.98287
_cell_angle_beta 58.76488
_cell_angle_gamma 40.25225
_cell_volume 132.42987
_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
Fe1 Fe 0.89826 0.19732 0.54744 1.00000
Fe2 Fe 0.35698 0.54744 0.19732 1.00000
Fe3 Fe 0.05268 0.35174 0.89302 1.00000
Fe4 Fe 0.70256 0.89302 0.35174 1.00000
Tc1 Tc 0.46104 0.74572 0.43554 1.00000
Tc2 Tc 0.35770 0.43554 0.74572 1.00000
Tc3 Tc 0.50428 0.78896 0.89230 1.00000
Tc4 Tc 0.81446 0.89230 0.78896 1.00000
Tc5 Tc 0.92602 0.07398 0.07398 1.00000
Tc6 Tc 0.17602 0.32398 0.32398 1.00000
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