Re2Tc
Alexandria ALEXAlex-ID: agm005461165 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_36_spg12
Re4Tc ReTc
2023-03-22 00:46:14.785330
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005461165).
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 agm005461165
data_agm005461165
_cell_length_a 5.02465
_cell_length_b 5.02465
_cell_length_c 5.02465
_cell_angle_alpha 103.21517
_cell_angle_beta 103.21517
_cell_angle_gamma 122.87328
_cell_volume 93.57661
_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
Re1 Re 0.36023 0.86023 0.22046 1.00000
Re2 Re 0.86023 0.63977 0.50000 1.00000
Re3 Re 0.13977 0.36023 0.50000 1.00000
Re4 Re 0.63977 0.13977 0.77954 1.00000
Tc1 Tc 0.75000 0.75000 0.00000 1.00000
Tc2 Tc 0.25000 0.25000 0.00000 1.00000
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