Tc3B2H9
Alexandria ALEXAlex-ID: agm006192292 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_502_spg2
BH9 Tc4H3 TcB2
2024-02-06 13:31:30
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006192292).
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 agm006192292
data_agm006192292
_cell_length_a 4.23584
_cell_length_b 3.25590
_cell_length_c 8.14533
_cell_angle_alpha 89.98337
_cell_angle_beta 60.82356
_cell_angle_gamma 112.59606
_cell_volume 88.06753
_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
B1 B 0.39135 0.69579 0.77809 1.00000
B2 B 0.60865 0.30421 0.22191 1.00000
Tc1 Tc 0.13352 0.56691 0.27493 1.00000
Tc2 Tc 0.00000 0.00000 0.00000 1.00000
Tc3 Tc 0.86648 0.43309 0.72507 1.00000
H1 H 0.75427 0.37569 0.53415 1.00000
H2 H 0.61416 0.30826 0.38406 1.00000
H3 H 0.50000 0.00000 0.00000 1.00000
H4 H 0.38584 0.69174 0.61594 1.00000
H5 H 0.05778 0.02902 0.63256 1.00000
H6 H 0.94222 0.97098 0.36744 1.00000
H7 H 0.24573 0.62431 0.46585 1.00000
H8 H 0.00000 0.50000 0.00000 1.00000
H9 H 0.50000 0.50000 0.00000 1.00000
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