Fe2CoTc2
Alexandria ALEXAlex-ID: agm002976007 · 空间群: P4/mbm (#127)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_10_spg127
Fe4Co CoTc3 Fe
2023-03-25 10:15:55.026923
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002976007).
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 agm002976007
data_agm002976007
_cell_length_a 7.10441
_cell_length_b 7.10441
_cell_length_c 2.59651
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 131.05261
_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
Co1 Co 0.00000 0.00000 0.00000 1.00000
Co2 Co 0.50000 0.50000 0.00000 1.00000
Tc1 Tc 0.37082 0.87082 0.00000 1.00000
Tc2 Tc 0.87082 0.62918 0.00000 1.00000
Tc3 Tc 0.62918 0.12918 0.00000 1.00000
Tc4 Tc 0.12918 0.37082 0.00000 1.00000
Fe1 Fe 0.16680 0.66680 0.50000 1.00000
Fe2 Fe 0.66680 0.83320 0.50000 1.00000
Fe3 Fe 0.83320 0.33320 0.50000 1.00000
Fe4 Fe 0.33320 0.16680 0.50000 1.00000
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