Tc5(HN)2
Alexandria ALEXAlex-ID: agm007163469 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1267_spg12
Tc3N H3N Tc
2024-01-03 04:30:43.790779
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007163469).
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 agm007163469
data_agm007163469
_cell_length_a 4.05205
_cell_length_b 4.76337
_cell_length_c 6.06499
_cell_angle_alpha 89.19277
_cell_angle_beta 90.00000
_cell_angle_gamma 115.17185
_cell_volume 105.93353
_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
H1 H 0.38101 0.76201 0.45719 1.00000
H2 H 0.61899 0.23799 0.54281 1.00000
Tc1 Tc 0.30399 0.60798 0.17015 1.00000
Tc2 Tc 0.69601 0.39202 0.82985 1.00000
Tc3 Tc 0.13627 0.27253 0.54929 1.00000
Tc4 Tc 0.86373 0.72747 0.45071 1.00000
Tc5 Tc 0.00000 0.00000 0.00000 1.00000
N1 N 0.21333 0.42667 0.85736 1.00000
N2 N 0.78667 0.57333 0.14264 1.00000
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