Tc4Ru15
Alexandria ALEXAlex-ID: agm073026319 · Space group: I-43d (#220)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A4B15_2_spg220
TcRu3 Ru
2024-10-20 07:41:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073026319).
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 agm073026319
data_agm073026319
_cell_length_a 8.90878
_cell_length_b 8.90878
_cell_length_c 8.90878
_cell_angle_alpha 109.47122
_cell_angle_beta 109.47122
_cell_angle_gamma 109.47122
_cell_volume 544.29395
_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 0.59401 0.59401 0.59401 1.00000
Tc2 Tc 0.90599 0.50000 0.00000 1.00000
Tc3 Tc 0.09401 0.09401 0.09401 1.00000
Tc4 Tc 0.00000 0.40599 0.50000 1.00000
Tc5 Tc 0.00000 0.90599 0.50000 1.00000
Tc6 Tc 0.40599 0.50000 0.00000 1.00000
Tc7 Tc 0.50000 0.00000 0.40599 1.00000
Tc8 Tc 0.50000 0.00000 0.90599 1.00000
Ru1 Ru 0.87483 0.93633 0.72819 1.00000
Ru2 Ru 0.25000 0.12500 0.87500 1.00000
Ru3 Ru 0.56367 0.43851 0.79187 1.00000
Ru4 Ru 0.43851 0.79187 0.56367 1.00000
Ru5 Ru 0.14664 0.77181 0.70813 1.00000
Ru6 Ru 0.56149 0.85336 0.12517 1.00000
Ru7 Ru 0.62517 0.35336 0.06149 1.00000
Ru8 Ru 0.29187 0.93851 0.06367 1.00000
Ru9 Ru 0.85336 0.12517 0.56149 1.00000
Ru10 Ru 0.35336 0.06149 0.62517 1.00000
Ru11 Ru 0.72819 0.87483 0.93633 1.00000
Ru12 Ru 0.37483 0.22819 0.43633 1.00000
Ru13 Ru 0.12500 0.87500 0.25000 1.00000
Ru14 Ru 0.93633 0.72819 0.87483 1.00000
Ru15 Ru 0.37500 0.62500 0.75000 1.00000
Ru16 Ru 0.20813 0.27181 0.64664 1.00000
Ru17 Ru 0.27181 0.64664 0.20813 1.00000
Ru18 Ru 0.64664 0.20813 0.27181 1.00000
Ru19 Ru 0.43633 0.37483 0.22819 1.00000
Ru20 Ru 0.87500 0.25000 0.12500 1.00000
Ru21 Ru 0.77181 0.70813 0.14664 1.00000
Ru22 Ru 0.70813 0.14664 0.77181 1.00000
Ru23 Ru 0.06367 0.29187 0.93851 1.00000
Ru24 Ru 0.06149 0.62517 0.35336 1.00000
Ru25 Ru 0.22819 0.43633 0.37483 1.00000
Ru26 Ru 0.79187 0.56367 0.43851 1.00000
Ru27 Ru 0.12517 0.56149 0.85336 1.00000
Ru28 Ru 0.75000 0.37500 0.62500 1.00000
Ru29 Ru 0.93851 0.06367 0.29187 1.00000
Ru30 Ru 0.62500 0.75000 0.37500 1.00000
