Tc2Ni3Ru2
Alexandria ALEXAlex-ID: agm009634412 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_532_spg12
Tc3Ni TcRu3 Ni
2024-03-31 09:44:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009634412).
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 agm009634412
data_agm009634412
_cell_length_a 5.76986
_cell_length_b 5.76986
_cell_length_c 6.47520
_cell_angle_alpha 69.74021
_cell_angle_beta 69.74021
_cell_angle_gamma 26.72481
_cell_volume 90.59413
_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 0.28790 0.28790 0.14838 1.00000
Tc2 Tc 0.71210 0.71210 0.85162 1.00000
Ni1 Ni 0.00000 0.00000 0.00000 1.00000
Ni2 Ni 0.42888 0.42888 0.72497 1.00000
Ni3 Ni 0.57112 0.57112 0.27503 1.00000
Ru1 Ru 0.14040 0.14040 0.56181 1.00000
Ru2 Ru 0.85960 0.85960 0.43819 1.00000
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