Tc13Ru2
Alexandria ALEXAlex-ID: agm003285673 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B13_5_spg2
Tc3Ru Tc
2022-01-16 00:44:59.755275
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003285673).
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 agm003285673
data_agm003285673
_cell_length_a 6.71305
_cell_length_b 4.73795
_cell_length_c 7.25118
_cell_angle_alpha 83.78328
_cell_angle_beta 107.94343
_cell_angle_gamma 90.03347
_cell_volume 217.99279
_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
Tc1 Tc 0.86553 0.06613 0.60021 1.00000
Tc2 Tc 0.13447 0.93387 0.39979 1.00000
Tc3 Tc 0.00000 0.00000 0.00000 1.00000
Tc4 Tc 0.53551 0.73253 0.60219 1.00000
Tc5 Tc 0.46449 0.26747 0.39781 1.00000
Tc6 Tc 0.19918 0.39906 0.59890 1.00000
Tc7 Tc 0.80082 0.60094 0.40110 1.00000
Tc8 Tc 0.33183 0.33246 0.00009 1.00000
Tc9 Tc 0.66817 0.66754 0.99991 1.00000
Tc10 Tc 0.26714 0.86513 0.80045 1.00000
Tc11 Tc 0.73286 0.13487 0.19955 1.00000
Tc12 Tc 0.59968 0.20292 0.79844 1.00000
Tc13 Tc 0.40032 0.79708 0.20156 1.00000
Ru1 Ru 0.93301 0.53380 0.80001 1.00000
Ru2 Ru 0.06699 0.46620 0.19999 1.00000
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