Tc4Mo2Ru3
Alexandria ALEXAlex-ID: agm005657591 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_694_spg15
Tc5Ru2 Mo TcRu
2023-06-27 10:52:19.808038
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005657591).
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 agm005657591
data_agm005657591
_cell_length_a 5.03034
_cell_length_b 7.55727
_cell_length_c 7.55726
_cell_angle_alpha 106.41431
_cell_angle_beta 96.44935
_cell_angle_gamma 96.44940
_cell_volume 270.69498
_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 0.53946 0.17383 0.01754 1.00000
Tc2 Tc 0.96054 0.98246 0.82617 1.00000
Tc3 Tc 0.46054 0.82617 0.98246 1.00000
Tc4 Tc 0.03946 0.01754 0.17383 1.00000
Tc5 Tc 0.86855 0.36017 0.36731 1.00000
Tc6 Tc 0.63145 0.63269 0.63983 1.00000
Tc7 Tc 0.13145 0.63983 0.63269 1.00000
Tc8 Tc 0.36855 0.36731 0.36017 1.00000
Mo1 Mo 0.64824 0.55039 0.16368 1.00000
Mo2 Mo 0.85177 0.83632 0.44961 1.00000
Mo3 Mo 0.35176 0.44961 0.83632 1.00000
Mo4 Mo 0.14823 0.16368 0.55039 1.00000
Ru1 Ru 0.05939 0.34590 0.05247 1.00000
Ru2 Ru 0.44061 0.94753 0.65410 1.00000
Ru3 Ru 0.94061 0.65410 0.94753 1.00000
Ru4 Ru 0.55939 0.05247 0.34590 1.00000
Ru5 Ru 0.75000 0.28632 0.71368 1.00000
Ru6 Ru 0.25000 0.71368 0.28632 1.00000
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