Tc2H5Ru2
Alexandria ALEXAlex-ID: agm007283465 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_207_spg12
TcRu3 H8Ru3 Tc4H3
2024-03-15 19:40:47.616579
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007283465).
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 agm007283465
data_agm007283465
_cell_length_a 5.23438
_cell_length_b 5.23438
_cell_length_c 6.04020
_cell_angle_alpha 59.29013
_cell_angle_beta 59.29013
_cell_angle_gamma 31.35049
_cell_volume 72.99170
_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 0.85386 0.85386 0.03983 1.00000
Tc2 Tc 0.14614 0.14614 0.96017 1.00000
H1 H 0.63377 0.63377 0.20240 1.00000
H2 H 0.36623 0.36623 0.79760 1.00000
H3 H 0.79446 0.79446 0.37740 1.00000
H4 H 0.20554 0.20554 0.62260 1.00000
H5 H 0.00000 0.00000 0.50000 1.00000
Ru1 Ru 0.58423 0.58423 0.62738 1.00000
Ru2 Ru 0.41577 0.41577 0.37262 1.00000
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