Re(Tc3B2)2
Alexandria ALEXAlex-ID: agm003661785 · Space group: I-42m (#121)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C6_23_spg121
Tc7B3 ReB2 ReB
2022-04-08 10:31:50.739013
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003661785).
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 agm003661785
data_agm003661785
_cell_length_a 5.66367
_cell_length_b 5.66367
_cell_length_c 5.66367
_cell_angle_alpha 88.52075
_cell_angle_beta 120.85769
_cell_angle_gamma 120.85769
_cell_volume 126.75175
_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 0.00000 0.00000 0.00000 1.00000
Tc1 Tc 1.00000 0.92280 0.54764 1.00000
Tc2 Tc 1.00000 0.54764 0.92280 1.00000
Tc3 Tc 0.62484 0.07720 0.07720 1.00000
Tc4 Tc 0.50000 0.00000 0.50000 1.00000
Tc5 Tc 0.37516 0.45236 0.45236 1.00000
Tc6 Tc 0.50000 0.50000 0.00000 1.00000
B1 B 1.00000 0.30181 0.58661 1.00000
B2 B 0.71521 0.41339 0.41339 1.00000
B3 B 1.00000 0.58661 0.30181 1.00000
B4 B 0.28479 0.69819 0.69819 1.00000
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