Tc20H2N17
Alexandria ALEXAlex-ID: agm006249752 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B17C20_2_spg12
Tc2N H3N TcN
2024-10-15 23:30:16.112413
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006249752).
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 agm006249752
data_agm006249752
_cell_length_a 6.25619
_cell_length_b 6.25619
_cell_length_c 24.03660
_cell_angle_alpha 86.31440
_cell_angle_beta 86.31440
_cell_angle_gamma 26.07647
_cell_volume 412.64252
_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 0.69169 0.69169 0.43075 1.00000
Tc2 Tc 0.10602 0.10602 0.52303 1.00000
Tc3 Tc 0.51412 0.51412 0.61564 1.00000
Tc4 Tc 0.91389 0.91389 0.70880 1.00000
Tc5 Tc 0.32779 0.32779 0.80065 1.00000
Tc6 Tc 0.53866 0.53866 0.85188 1.00000
Tc7 Tc 0.94922 0.94922 0.94462 1.00000
Tc8 Tc 0.74255 0.74255 0.89925 1.00000
Tc9 Tc 0.25745 0.25745 0.10075 1.00000
Tc10 Tc 0.05078 0.05078 0.05538 1.00000
Tc11 Tc 0.46134 0.46134 0.14812 1.00000
Tc12 Tc 0.67221 0.67221 0.19935 1.00000
Tc13 Tc 0.88478 0.88478 0.24198 1.00000
Tc14 Tc 0.08611 0.08611 0.29120 1.00000
Tc15 Tc 0.48588 0.48588 0.38436 1.00000
Tc16 Tc 0.28814 0.28814 0.33425 1.00000
Tc17 Tc 0.89398 0.89398 0.47697 1.00000
Tc18 Tc 0.30831 0.30831 0.56925 1.00000
Tc19 Tc 0.71186 0.71186 0.66575 1.00000
Tc20 Tc 0.11522 0.11522 0.75802 1.00000
H1 H 0.87489 0.87489 0.85136 1.00000
H2 H 0.12511 0.12511 0.14864 1.00000
N1 N 0.89708 0.89708 0.09818 1.00000
N2 N 0.24670 0.24670 0.24777 1.00000
N3 N 0.65317 0.65317 0.34297 1.00000
N4 N 0.06741 0.06741 0.44181 1.00000
N5 N 0.93259 0.93259 0.55819 1.00000
N6 N 0.34683 0.34683 0.65703 1.00000
N7 N 0.07963 0.07963 0.67122 1.00000
N8 N 0.75330 0.75330 0.75223 1.00000
N9 N 0.49408 0.49408 0.77331 1.00000
N10 N 0.10292 0.10292 0.90182 1.00000
N11 N 0.31923 0.31923 0.94355 1.00000
N12 N 0.68077 0.68077 0.05645 1.00000
N13 N 0.50000 0.50000 0.00000 1.00000
N14 N 0.50592 0.50592 0.22669 1.00000
N15 N 0.92037 0.92037 0.32878 1.00000
N16 N 0.32898 0.32898 0.42507 1.00000
N17 N 0.67102 0.67102 0.57493 1.00000
