TcSb2H7
Alexandria ALEXAlex-ID: agm006205192 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_267_spg139
Tc4H3 SbH3 H2
2023-12-13 19:16:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006205192).
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 agm006205192
data_agm006205192
_cell_length_a 4.88522
_cell_length_b 5.14736
_cell_length_c 6.14236
_cell_angle_alpha 115.78696
_cell_angle_beta 85.16161
_cell_angle_gamma 122.04784
_cell_volume 115.68861
_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 0.20146 0.89457 0.16762 1.00000
H2 H 0.76050 0.04769 0.98470 1.00000
H3 H 0.99352 0.22643 0.70361 1.00000
H4 H 0.18612 0.27149 0.00271 1.00000
H5 H 0.46778 0.57928 0.48905 1.00000
H6 H 0.95689 0.50811 0.29067 1.00000
H7 H 0.74923 0.49243 0.82825 1.00000
Tc1 Tc 0.97300 0.45768 0.99756 1.00000
Sb1 Sb 0.32741 0.85198 0.76971 1.00000
Sb2 Sb 0.61649 0.72771 0.23430 1.00000
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