RbTcSnH6
Alexandria ALEXAlex-ID: agm007659899 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_655_spg1
Tc4H3 Rb2TcH9 Sn SnH2
2024-02-09 08:37:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007659899).
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 agm007659899
data_agm007659899
_cell_length_a 4.78380
_cell_length_b 4.78380
_cell_length_c 6.31940
_cell_angle_alpha 85.91320
_cell_angle_beta 85.91320
_cell_angle_gamma 121.31287
_cell_volume 122.23934
_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
Rb1 Rb 0.02702 0.97298 0.00000 1.00000
Tc1 Tc 0.67544 0.32456 0.50000 1.00000
Sn1 Sn 0.34841 0.65159 0.50000 1.00000
H1 H 0.95240 0.33604 0.30247 1.00000
H2 H 0.66396 0.04760 0.69753 1.00000
H3 H 0.27707 0.11054 0.59878 1.00000
H4 H 0.70279 0.49811 0.73075 1.00000
H5 H 0.88946 0.72293 0.40122 1.00000
H6 H 0.50189 0.29721 0.26925 1.00000
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