Tc8H4Ru
Alexandria ALEXAlex-ID: agm006044707 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1_spg8
Tc2H Tc4H3 TcRu
2023-07-10 09:43:06.036203
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006044707).
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 agm006044707
data_agm006044707
_cell_length_a 2.81291
_cell_length_b 6.87534
_cell_length_c 7.46117
_cell_angle_alpha 81.18359
_cell_angle_beta 79.13457
_cell_angle_gamma 78.19597
_cell_volume 137.72191
_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 0.14140 0.34221 0.37498 1.00000
Tc2 Tc 0.55337 0.66706 0.22620 1.00000
Tc3 Tc 0.47806 0.33633 0.70756 1.00000
Tc4 Tc 0.88998 0.66122 0.55881 1.00000
Tc5 Tc 0.85396 0.00322 0.28886 1.00000
Tc6 Tc 0.21675 0.67258 0.89393 1.00000
Tc7 Tc 0.17748 0.00019 0.64485 1.00000
Tc8 Tc 0.81469 0.33079 0.03983 1.00000
H1 H 0.36570 0.83689 0.43170 1.00000
H2 H 0.84680 0.50431 0.80209 1.00000
H3 H 0.18463 0.49908 0.13166 1.00000
H4 H 0.66573 0.16650 0.50204 1.00000
Ru1 Ru 0.51573 0.00168 0.96685 1.00000
Get direct link