Fe5Tc3
Alexandria ALEXAlex-ID: agm005497533 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B5_3_spg65
Tc Fe
2023-03-18 21:38:58.949752
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005497533).
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}
}
3D Crystal Structure Rendering
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# CIF generated by HEAS from Alexandria entry agm005497533
data_agm005497533
_cell_length_a 5.21216
_cell_length_b 5.21216
_cell_length_c 3.65895
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 91.88359
_cell_volume 99.34753
_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 0.00000 0.00000 0.00000 1.00000
Fe2 Fe 0.50000 0.00000 0.00000 1.00000
Fe3 Fe 0.00000 0.50000 0.00000 1.00000
Fe4 Fe 0.75760 0.75760 0.50000 1.00000
Fe5 Fe 0.24240 0.24240 0.50000 1.00000
Tc1 Tc 0.50000 0.50000 0.00000 1.00000
Tc2 Tc 0.75641 0.24359 0.50000 1.00000
Tc3 Tc 0.24359 0.75641 0.50000 1.00000
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