Tc2Sb2H5
Alexandria ALEXAlex-ID: agm007133540 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_1_spg46
TcSbH2 Tc4H3 SbH3
2024-01-27 22:00:44.233437
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007133540).
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 agm007133540
data_agm007133540
_cell_length_a 7.53157
_cell_length_b 7.53157
_cell_length_c 7.53157
_cell_angle_alpha 142.78931
_cell_angle_beta 133.47826
_cell_angle_gamma 61.02052
_cell_volume 185.50437
_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 0.50000 0.00000 0.50000 1.00000
Tc2 Tc 0.00000 0.50000 0.50000 1.00000
Tc3 Tc 0.75596 0.25000 0.50596 1.00000
Tc4 Tc 0.24404 0.75000 0.49404 1.00000
Sb1 Sb 0.54825 0.63071 0.91753 1.00000
Sb2 Sb 0.45175 0.36929 0.08247 1.00000
Sb3 Sb 0.21318 0.13071 0.08247 1.00000
Sb4 Sb 0.78682 0.86929 0.91753 1.00000
H1 H 0.23418 0.73418 0.00000 1.00000
H2 H 0.76582 0.76582 0.50000 1.00000
H3 H 0.23418 0.23418 0.50000 1.00000
H4 H 0.76582 0.26582 0.00000 1.00000
H5 H 0.76523 0.12723 0.63801 1.00000
H6 H 0.23477 0.87277 0.36199 1.00000
H7 H 0.98922 0.62723 0.36199 1.00000
H8 H 0.01078 0.37277 0.63801 1.00000
H9 H 0.00000 0.50000 0.00000 1.00000
H10 H 0.00000 0.00000 0.50000 1.00000
Get direct link