ReSiTc3
Alexandria ALEXAlex-ID: agm005809344 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_5871_spg69
SiTc2 ReTc
2023-07-05 20:35:06.665476
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005809344).
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
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005809344
data_agm005809344
_cell_length_a 4.74828
_cell_length_b 4.74828
_cell_length_c 7.00510
_cell_angle_alpha 103.10149
_cell_angle_beta 103.10150
_cell_angle_gamma 100.17088
_cell_volume 145.43231
_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 0.80342 0.30342 0.51551 1.00000
Re2 Re 0.19658 0.69658 0.48449 1.00000
Si1 Si 0.82806 0.67194 0.00000 1.00000
Si2 Si 0.17194 0.32806 1.00000 1.00000
Tc1 Tc 0.28662 0.78662 0.89077 1.00000
Tc2 Tc 0.71338 0.21338 0.10923 1.00000
Tc3 Tc 0.22460 0.11074 0.29403 1.00000
Tc4 Tc 0.38926 0.27540 0.70597 1.00000
Tc5 Tc 0.77540 0.88926 0.70597 1.00000
Tc6 Tc 0.61074 0.72460 0.29403 1.00000
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